CID 22387246

4-(5-(trifluoromethyl)-1h-benzo[d]imidazol-2-yl)aniline

Structural Information

Molecular Formula
C14H10F3N3
SMILES
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)N
InChI
InChI=1S/C14H10F3N3/c15-14(16,17)9-3-6-11-12(7-9)20-13(19-11)8-1-4-10(18)5-2-8/h1-7H,18H2,(H,19,20)
InChIKey
OOIHJXFRMYMHGG-UHFFFAOYSA-N
Compound name
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

277.08267 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08995 158.3
[M+Na]+ 300.07189 169.6
[M-H]- 276.07539 159.0
[M+NH4]+ 295.11649 173.8
[M+K]+ 316.04583 162.2
[M+H-H2O]+ 260.07993 148.1
[M+HCOO]- 322.08087 176.2
[M+CH3COO]- 336.09652 169.5
[M+Na-2H]- 298.05734 163.6
[M]+ 277.08212 153.5
[M]- 277.08322 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe