Dataset

Trifluoromethanesulphonic acid; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ383654 contains the MS2 mass spectrum of Trifluoromethanesulphonic acid with the InChIkey ITMCEJHCFYSIIV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
SMILES C(F)(F)(F)S(=O)(=O)O
InChI Key ITMCEJHCFYSIIV-UHFFFAOYSA-N
Molecular Formula CHF3O3S
Exact Mass 149.960 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ383654
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Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • trifluoromethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:48511 chebi
    TFS rcsb_pdb
    CHEMBL1236265 chembl
    10382618 surechembl
    295 surechembl
    3950101 surechembl
    62406 pubchem
    71773376 pubchem
    JE2SY203E8 fdasrs
    OYIBOP CCDC
    TFS - Ideal conformer pdbe
    Molport-000-158-911 molport
    The data in this table is sourced from UniChem at EBI.