Dataset

Trifluoromethanesulphonic acid; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ383657 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-EQ383657
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • trifluoromethanesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14772278 PubChem: Thomson Pharma
    62406 PubChem
    JE2SY203E8 FDA SRS
    132645-03-5 ACToR
    1493-13-6 ACToR
    66178-41-4 ACToR
    646-58-2 ACToR
    484065 eMolecules
    ZINC000011027584 ZINC
    CB7247316 ChemicalBook
    SCHEMBL295 SureChEMBL
    MCULE-5133077095 Mcule
    71773376 PubChem
    TFS PDBe
    CHEMBL1236265 ChEMBL
    48511 ChEBI
    DTXSID2044397 EPA CompTox Dashboard
    OYIBOP CCDC
    J12.301C Nikkaji
    The data in this table is sourced from UniChem at EBI.