Dataset

Propanil; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU233160 contains the MS2 mass spectrum of Propanil with the InChIkey LFULEKSKNZEWOE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
SMILES CCC(=O)NC1=CC(Cl)=C(Cl)C=C1
InChI Key LFULEKSKNZEWOE-UHFFFAOYSA-N
Molecular Formula C9H9Cl2NO
Exact Mass 217.006 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-AU233160
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • N-(3,4-dichlorophenyl)propanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:34936 chebi
    CHEMBL1222498 chembl
    21900164 surechembl
    26871 surechembl
    4933 pubchem
    F57I4G0520 fdasrs
    PD100591 probes_and_drugs
    PUZNIJ CCDC
    104726 brenda
    30884 brenda
    42220 brenda
    42221 brenda
    4932 brenda
    HMDB0256817 hmdb
    The data in this table is sourced from UniChem at EBI.