Dataset

2H,2H,3H,3H-Perfluorodecanoic acid; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111013914 contains the MS2 mass spectrum of 2H,2H,3H,3H-Perfluorodecanoic acid with the InChIkey HLBRGVKRZQSQHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27)
SMILES C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI Key HLBRGVKRZQSQHB-UHFFFAOYSA-N
Molecular Formula C10H5F15O2
Exact Mass 442.005 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111013914
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:177067 chebi
    1827086 surechembl
    2783376 pubchem
    PD198540 probes_and_drugs
    Molport-001-771-601 molport
    The data in this table is sourced from UniChem at EBI.