Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H5ClN2O2/c10-7-4-5-11-9-6(7)2-1-3-8(9)12(13)14/h1-5H
SMILES [O-][N+](=O)c1cccc2c1nccc2Cl
InChI Key AOATVJLAFLBGPZ-UHFFFAOYSA-N
Molecular Formula C9H5ClN2O2
Exact Mass 208.601 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOATVJLAFLBGPZ-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/AOATVJLAFLBGPZ-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-18
Related Molecule
  • 4-chloro-8-nitroquinoline
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1491458 chembl
    317836 surechembl
    610440 pubchem
    YUCVAW CCDC
    Molport-001-942-004 molport
    The data in this table is sourced from UniChem at EBI.