Dataset

N-(3,4-Dichlorophenyl)propanamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00305104 contains the MS2 mass spectrum of N-(3,4-Dichlorophenyl)propanamide 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=C(Cl)C(Cl)=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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00305104
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MetadataPublished 2024-06-14
Related Molecule
  • N-(3,4-dichlorophenyl)propanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4933 PubChem
    15195880 PubChem: Thomson Pharma
    PD100591 ProbesDrugs
    709-98-8 ACToR
    LSM-19981 LINCS
    110343-36-7 ACToR
    F57I4G0520 FDA SRS
    510151 eMolecules
    104726 Brenda
    42221 Brenda
    CB0760935 ChemicalBook
    42220 Brenda
    4932 Brenda
    30884 Brenda
    20208661 NMRShiftDB
    SCHEMBL26871 SureChEMBL
    MCULE-7996228609 Mcule
    CHEMBL1222498 ChEMBL
    C14229 KEGG Ligand
    HY-B2030 MedChemExpress
    34936 ChEBI
    SCHEMBL21900164 SureChEMBL
    ZINC000000362579 ZINC
    HMDB0256817 Human Metabolome Database
    PUZNIJ CCDC
    DTXSID8022111 EPA CompTox Dashboard
    J4.405I Nikkaji
    The data in this table is sourced from UniChem at EBI.