Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C12H11N4.ClH/c1-16-8-6-10(7-9-16)11-4-2-3-5-12(11)14-15-13;/h2-9H,1H3;1H/q+1;/p-1
SMILES	[N-]=[N+]=Nc1ccccc1c1cc[n+](cc1)C.[Cl-]
InChI Key	RFJCJXBPYRNNBV-UHFFFAOYSA-M
Molecular Formula	C12H11ClN4
Exact Mass	246.696 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RFJCJXBPYRNNBV-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RFJCJXBPYRNNBV-UHFFFAOYSA-M/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:46:13.718338
MetadataModified	2024-09-08T00:46:13.718343
MetadataPublished	2023-03-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166638643	PubChem
The data in this table is sourced from UniChem at EBI.