Dataset

8-2-FTCA; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01145954 contains the MS2 mass spectrum of 8-2-FTCA with the InChIkey XTBXSCIWOVSSGB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)
SMILES C(C(=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 XTBXSCIWOVSSGB-UHFFFAOYSA-N
Molecular Formula C10H3F17O2
Exact Mass 477.986 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-EQ01145954
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MetadataPublished 2024-05-15
Related Molecule
  • 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10994425 PubChem
    16053394 PubChem: Thomson Pharma
    SCHEMBL3864225 SureChEMBL
    ZINC000117486813 ZINC
    DTXSID50451109 EPA CompTox Dashboard
    J619.057J Nikkaji
    The data in this table is sourced from UniChem at EBI.