Dataset

8-3-FTCA; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01166852 contains the MS2 mass spectrum of 8-3-FTCA with the InChIkey JZRCRCFPVAXHHQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
SMILES C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI Key JZRCRCFPVAXHHQ-UHFFFAOYSA-N
Molecular Formula C11H5F17O2
Exact Mass 492.002 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-EQ01166852
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MetadataPublished 2024-05-15
Related Molecule
  • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    934065 surechembl
    2782413 pubchem
    F247H99R8Q fdasrs
    Molport-001-775-218 molport
    The data in this table is sourced from UniChem at EBI.