Dataset

Perfluoropentane-1-sulfonic acid; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016529 contains the MS2 mass spectrum of Perfluoropentane-1-sulfonic acid with the InChIkey ACEKLXZRZOWKRY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)
SMILES C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F
InChI Key ACEKLXZRZOWKRY-UHFFFAOYSA-N
Molecular Formula C5HF11O3S
Exact Mass 349.947 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016529
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2706-91-4 ACToR
    75922 PubChem
    J192.214I Nikkaji
    SCHEMBL615754 SureChEMBL
    ZINC000100424553 ZINC
    DTXSID8062600 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.