Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H10N2.ClH/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14;/h2-8H,1H3;1H
SMILES	C[n+]1ccc2c(c1)[nH]c1c2cccc1.[Cl-]
InChI Key	MBTCRVJGAFPEJM-UHFFFAOYSA-N
Molecular Formula	C12H11ClN2
Exact Mass	218.682 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MBTCRVJGAFPEJM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MBTCRVJGAFPEJM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:49:18.334680
MetadataModified	2024-09-08T00:49:18.334685
MetadataPublished	2023-03-24

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL596332	ChEMBL
46228084	PubChem
The data in this table is sourced from UniChem at EBI.