Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H10F6N2/c23-21(24,25)15-5-1-13(2-6-15)17-9-10-18(20(12-30)19(17)11-29)14-3-7-16(8-4-14)22(26,27)28/h1-10H
SMILES	N#Cc1c(C#N)c(ccc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
InChI Key	BNARFEOZLAWZRF-UHFFFAOYSA-N
Molecular Formula	C22H10F6N2
Exact Mass	416.319 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/BNARFEOZLAWZRF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BNARFEOZLAWZRF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-08T03:06:16.850633
MetadataModified	2025-03-09T03:15:31.264741
MetadataPublished	2025-03-07
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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