Dataset

Diflubenzuron; LC-ESI-QTOF; MS2; CE: Ramp 21.8-32.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU338806 contains the MS2 mass spectrum of Diflubenzuron with the InChIkey QQQYTWIFVNKMRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
SMILES FC1=CC=CC(F)=C1C(=O)NC(=O)NC1=CC=C(Cl)C=C1
InChI Key QQQYTWIFVNKMRW-UHFFFAOYSA-N
Molecular Formula C14H9ClF2N2O2
Exact Mass 310.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU338806
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MetadataPublished 2019-05-30
Related Molecule
  • N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34703 chebi
    CHEMBL49338 chembl
    42416 surechembl
    37123 pubchem
    J76U6ZSI8D fdasrs
    PD000583 probes_and_drugs
    CPFBUR CCDC
    44046 brenda
    HMDB0031778 hmdb
    Molport-001-772-909 molport
    The data in this table is sourced from UniChem at EBI.