Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H9ClINO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
SMILES ClCCC(=O)Nc1ccc(cc1)I
InChI Key HDSVPZQNUZOGIK-UHFFFAOYSA-N
Molecular Formula C9H9ClINO
Exact Mass 309.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HDSVPZQNUZOGIK-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/HDSVPZQNUZOGIK-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • 3-chloro-N-(4-iodophenyl)propanamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1170764 chembl
    5058705 pubchem
    Molport-005-249-734 molport
    The data in this table is sourced from UniChem at EBI.