Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C11H11ClN2/c1-7(2)10-11(12)14-9-6-4-3-5-8(9)13-10/h3-7H,1-2H3
SMILES	CC(c1nc2ccccc2nc1Cl)C
InChI Key	ZRDHYUMEEXJHJN-UHFFFAOYSA-N
Molecular Formula	C11H11ClN2
Exact Mass	206.671 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZRDHYUMEEXJHJN-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/ZRDHYUMEEXJHJN-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Victor Larignon
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:07:29.932448
MetadataModified	2024-09-08T01:07:29.932453
MetadataPublished	2023-07-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL6312005	SureChEMBL
ZINC000039188654	ZINC
12231786	PubChem
The data in this table is sourced from UniChem at EBI.