| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-19 03:45:58 UTC |
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| Update Date | 2016-11-09 01:14:27 UTC |
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| Accession Number | CHEM011856 |
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| Identification |
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| Common Name | Methanesulfonic acid, trifluoro-, lithium salt |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| Lithium(1+) ion trifluoromethanesulfonate | Generator | | Lithium(1+) ion trifluoromethanesulphonate | Generator | | Lithium(1+) ion trifluoromethanesulphonic acid | Generator | | Cerium triflate | MeSH | | Trifluoromethanesulfonic acid, cupric salt | MeSH | | Al(otf)3 | MeSH | | Cu(otf)2 | MeSH | | Mercury(II) trifluoromethanesulfonate | MeSH | | Trifluoromethanesulfonic acid, silver (+1) salt | MeSH | | Samarium triflate | MeSH | | Trifluoromethanesulfonic acid, aluminum salt | MeSH | | Trifluoromethanesulfonic acid, barium salt | MeSH | | Trifluoromethanesulfonic acid, cerium (+3) salt | MeSH | | Trifluoromethanesulfonic acid, samarium salt | MeSH | | AgOTf CPD | MeSH | | In(otf)3 | MeSH | | Aluminum triflate | MeSH | | Indium triflate | MeSH | | Silver trifluoromethanesulfonate | MeSH | | Trifluoromethanesulfonic acid, indium salt | MeSH | | Eu(otf)3 | MeSH | | Cupric trifluoromethanesulfonate | MeSH | | Silver triflate | MeSH | | Trifluoromethanesulfonate | MeSH | | Trifluoromethanesulfonic acid | MeSH | | Trifluoromethanesulfonic acid, lithium salt | MeSH | | Trifluoromethanesulfonic acid, zinc salt | MeSH | | Zinc triflate | MeSH | | Triflic acid | MeSH | | As(otf)2 | MeSH | | TFMSA CPD | MeSH | | Trifluoromethanesulfonic acid, lanthanum (+3) salt | MeSH | | Li triflic acid | Generator |
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| Chemical Formula | CHF3LiO3S |
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| Average Molecular Mass | 157.010 g/mol |
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| Monoisotopic Mass | 156.975 g/mol |
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| CAS Registry Number | 33454-82-9 |
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| IUPAC Name | lithium(1+) ion trifluoromethanesulfonic acid |
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| Traditional Name | lithium(1+) ion trifluoromethanesulfonic acid |
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| SMILES | [Li+].OS(=O)(=O)C(F)(F)F |
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| InChI Identifier | InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1 |
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| InChI Key | MCVFFRWZNYZUIJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic sulfonic acids and derivatives |
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| Sub Class | Organosulfonic acids and derivatives |
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| Direct Parent | Trifluoromethanesulfonates |
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| Alternative Parents | |
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| Substituents | - Trifluoromethanesulfonate
- Sulfonyl
- Organosulfonic acid
- Methanesulfonate
- Trihalomethane
- Organic metal halide
- Organic alkali metal salt
- Organic oxygen compound
- Organic oxide
- Halomethane
- Hydrocarbon derivative
- Organic salt
- Organosulfur compound
- Organofluoride
- Organohalogen compound
- Alkyl halide
- Alkyl fluoride
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0a59-2900000000-4ca9be355a12ffac046c | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0900000000-46beb147296bd86c98aa | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9500000000-857af02c40d697c9eaff | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 21932345 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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