Dataset

Perfluorooctanesulfonamide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU230357 contains the MS2 mass spectrum of Perfluorooctanesulfonamide with the InChIkey RRRXPPIDPYTNJG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
SMILES NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key RRRXPPIDPYTNJG-UHFFFAOYSA-N
Molecular Formula C8H2F17NO2S
Exact Mass 498.953 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU230357
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID3038939 EPA CompTox Dashboard
    J27.719C Nikkaji
    CB8746447 ChemicalBook
    CHEMBL1087375 ChEMBL
    138089 ChEBI
    ZINC000038141476 ZINC
    SCHEMBL828147 SureChEMBL
    69785 PubChem
    16382640 PubChem: Thomson Pharma
    754-91-6 ACToR
    80AM718FML FDA SRS
    32345518 eMolecules
    The data in this table is sourced from UniChem at EBI.