Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H6Cl2N2/c11-9-5-8(6-10(12)14-9)7-1-3-13-4-2-7/h1-6H
SMILES	Clc1nc(Cl)cc(c1)c1ccncc1
InChI Key	FLZJZVAEYWUCET-UHFFFAOYSA-N
Molecular Formula	C10H6Cl2N2
Exact Mass	225.074 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/FLZJZVAEYWUCET-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FLZJZVAEYWUCET-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Hannes Kühner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:54:50.542307
MetadataModified	2024-09-07T22:26:48.051792
MetadataPublished	2022-07-09

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
71338980	PubChem
DTXSID30766485	EPA CompTox Dashboard
SCHEMBL4719469	SureChEMBL
J3.404.758H	Nikkaji
The data in this table is sourced from UniChem at EBI.