Dataset

1H,1H,2H,2H-perfluorodecan sulfonate (8:2) (8:2 Fluorotelomer sulfonic acid); LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU594350 contains the MS2 mass spectrum of 1H,1H,2H,2H-perfluorodecan sulfonate (8:2) (8:2 Fluorotelomer sulfonic acid) with the InChIkey ALVYVCQIFHTIRD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)
SMILES C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key ALVYVCQIFHTIRD-UHFFFAOYSA-N
Molecular Formula C10H5F17O3S
Exact Mass 527.969 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-AU594350
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MetadataPublished 2020-04-11
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    39108-34-4 ACToR
    3016044 PubChem
    DTXSID00192353 EPA CompTox Dashboard
    J182.397C Nikkaji
    SCHEMBL1826986 SureChEMBL
    ZINC000100045862 ZINC
    The data in this table is sourced from UniChem at EBI.