Dataset

Flurochloridone; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00354903 contains the MS2 mass spectrum of Flurochloridone with the InChIkey OQZCSNDVOWYALR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
SMILES C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl
InChI Key OQZCSNDVOWYALR-UHFFFAOYSA-N
Molecular Formula C12H10Cl2F3NO
Exact Mass 311.009 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00354903
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MetadataPublished 2024-06-14
Related Molecule
  • 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:5131 chebi
    CHEMBL2272973 chembl
    29471429 surechembl
    54056 surechembl
    91677 pubchem
    PD209511 probes_and_drugs
    163096 brenda
    HMDB0252372 hmdb
    Molport-001-933-291 molport
    The data in this table is sourced from UniChem at EBI.