Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C8H8INO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccccc1I
InChI Key BCJOKHQYEDXBSF-UHFFFAOYSA-N
Molecular Formula C8H8INO
Exact Mass 261.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BCJOKHQYEDXBSF-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/BCJOKHQYEDXBSF-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-10
Related Molecule
  • N-(2-iodophenyl)acetamide
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    74521 surechembl
    140559 pubchem
    XODJIL CCDC
    Molport-001-668-421 molport
    The data in this table is sourced from UniChem at EBI.