Dataset

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid; LC-ESI-QTOF; MS2; 130 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013854 contains the MS2 mass spectrum of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid with the InChIkey VIONGDJUYAYOPU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)
SMILES C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key VIONGDJUYAYOPU-UHFFFAOYSA-N
Molecular Formula C8H5F13O3S
Exact Mass 427.975 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013854
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MetadataPublished 2023-11-10
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    158885 surechembl
    119688 pubchem
    9E5JL7S7WY fdasrs
    PD167748 probes_and_drugs
    Molport-001-776-491 molport
    The data in this table is sourced from UniChem at EBI.