Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H17BrF2N2/c23-18-12-14-4-8-16(18)9-5-15-7-11-17(10-6-14)21(13-15)26-27-22-19(24)2-1-3-20(22)25/h1-4,7-8,11-13H,5-6,9-10H2/b27-26+
SMILES	Fc1cccc(c1/N=N/c1cc2ccc1CCc1ccc(CC2)c(c1)Br)F
InChI Key	OTKUMVPKUYFCDX-CYYJNZCTSA-N
Molecular Formula	C22H17BrF2N2
Exact Mass	427.285 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/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OTKUMVPKUYFCDX-CYYJNZCTSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:05:36.524845
MetadataModified	2024-09-08T04:05:36.524850
MetadataPublished	2024-07-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.