Dataset

BifenoxH; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00010801 contains the MS2 mass spectrum of BifenoxH with the InChIkey SUSRORUBZHMPCO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
SMILES COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI Key SUSRORUBZHMPCO-UHFFFAOYSA-N
Molecular Formula C14H9Cl2NO5
Exact Mass 340.986 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-EQ00010801
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:6613 chebi
    CHEMBL449928 chembl
    30862569 surechembl
    38816 surechembl
    39230 pubchem
    KSB85XT26Y fdasrs
    PD184124 probes_and_drugs
    AFUTAY CCDC
    Molport-003-933-325 molport
    50253063 bindingdb
    The data in this table is sourced from UniChem at EBI.