CID 19345

5-amino-2-(trifluoromethyl)benzimidazole

Structural Information

Molecular Formula
C8H6F3N3
SMILES
C1=CC2=C(C=C1N)NC(=N2)C(F)(F)F
InChI
InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKey
CKEKFQLHCAZGSP-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

350
Patents

201.05138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05866 136.2
[M+Na]+ 224.04060 147.8
[M-H]- 200.04410 133.6
[M+NH4]+ 219.08520 154.9
[M+K]+ 240.01454 142.7
[M+H-H2O]+ 184.04864 127.5
[M+HCOO]- 246.04958 154.7
[M+CH3COO]- 260.06523 182.6
[M+Na-2H]- 222.02605 143.1
[M]+ 201.05083 131.1
[M]- 201.05193 131.1
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