Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H15BrF2N2/c1-13-22(12-23)27-21-11-19(15-4-8-17(25)9-5-15)18(10-20(21)26-13)14-2-6-16(24)7-3-14/h2-11H,12H2,1H3
SMILES	BrCc1nc2cc(c3ccc(cc3)F)c(cc2nc1C)c1ccc(cc1)F
InChI Key	WWSDNBBIEALTLI-UHFFFAOYSA-N
Molecular Formula	C22H15BrF2N2
Exact Mass	425.269 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/WWSDNBBIEALTLI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WWSDNBBIEALTLI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:38:48.578435
MetadataModified	2024-09-07T22:14:03.490720
MetadataPublished	2022-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163197217	PubChem
The data in this table is sourced from UniChem at EBI.