CID 198632

89426-92-6

Structural Information

Molecular Formula
C14H9F3N2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C(F)(F)F
InChI
InChI=1S/C14H9F3N2/c15-14(16,17)13-18-11-7-6-10(8-12(11)19-13)9-4-2-1-3-5-9/h1-8H,(H,18,19)
InChIKey
JYIRUKAOLZSQJQ-UHFFFAOYSA-N
Compound name
6-phenyl-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

262.07178 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.079056 154.4
[M+Na]+ 285.060998 165.6
[M-H]- 261.064504 155.1
[M+NH4]+ 280.105603 170.7
[M+K]+ 301.034938 158.6
[M+H-H2O]+ 245.069040 144.1
[M+HCOO]- 307.069981 171.8
[M+CH3COO]- 321.085631 166.0
[M+Na-2H]- 283.046446 160.7
[M]+ 262.07123142 150.7
[M]- 262.07232858 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe