Dataset

Perfluorobutylsulphonamide; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ501153 contains the MS2 mass spectrum of Perfluorobutylsulphonamide with the InChIkey FUVKFLJWBHVMHX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
SMILES C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F
InChI Key FUVKFLJWBHVMHX-UHFFFAOYSA-N
Molecular Formula C4H2F9NO2S
Exact Mass 298.966 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-EQ501153
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    KPQ rcsb_pdb
    CHEMBL1076850 chembl
    2021790 surechembl
    10958205 pubchem
    118589680 pubchem
    G4V6K37HVR fdasrs
    PD167589 probes_and_drugs
    78263 brenda
    KPQ - Ideal conformer pdbe
    Molport-039-016-829 molport
    The data in this table is sourced from UniChem at EBI.