Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H9Cl2NO/c1-6-7(11)3-2-4-8(6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
SMILES ClCC(=O)Nc1cccc(c1C)Cl
InChI Key QJZOMYDYUYMZGL-UHFFFAOYSA-N
Molecular Formula C9H9Cl2NO
Exact Mass 218.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QJZOMYDYUYMZGL-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/QJZOMYDYUYMZGL-UHFFFAOYSA-N/Mass/EI
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(3-chloro-2-methylphenyl)acetamide
    • Field Value
    Measurement Technique electron ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-9857698332 Mcule
    SCHEMBL4003436 SureChEMBL
    99585-94-1 ACToR
    440143 eMolecules
    226000 PubChem
    DTXSID90280218 EPA CompTox Dashboard
    245643 Brenda
    ZINC000000063637 ZINC
    The data in this table is sourced from UniChem at EBI.