Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C24H8F12N2/c25-21(26,27)13-3-11(4-14(7-13)22(28,29)30)17-1-2-18(20(10-38)19(17)9-37)12-5-15(23(31,32)33)8-16(6-12)24(34,35)36/h1-8H
SMILES	N#Cc1c(C#N)c(ccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key	YBFUDLAIFSCTMT-UHFFFAOYSA-N
Molecular Formula	C24H8F12N2
Exact Mass	552.315 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/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YBFUDLAIFSCTMT-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-03-08T03:02:05.378852
MetadataModified	2025-03-09T03:11:38.985669
MetadataPublished	2025-03-07
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.333.175D	Nikkaji
102335597	PubChem
The data in this table is sourced from UniChem at EBI.