Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H8ClFN2/c14-11-2-1-7-17-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h1-8H
SMILES	Fc1ccc(cc1)c1cn2c(n1)c(Cl)ccc2
InChI Key	PGCCRJVQXFSFNG-UHFFFAOYSA-N
Molecular Formula	C13H8ClFN2
Exact Mass	246.667 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PGCCRJVQXFSFNG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:35:49.392636
MetadataModified	2024-09-08T00:35:49.392641
MetadataPublished	2023-03-03

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables