Dataset

6-2-FTS; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01144153 contains the MS2 mass spectrum of 6-2-FTS 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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01144153
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MetadataPublished 2024-05-15
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
    119688 PubChem
    SCHEMBL158885 SureChEMBL
    910706 eMolecules
    16162269 PubChem: Thomson Pharma
    27619-97-2 ACToR
    ZINC000095681694 ZINC
    J182.395G Nikkaji
    DTXSID6067331 EPA CompTox Dashboard
    CB3467468 ChemicalBook
    The data in this table is sourced from UniChem at EBI.