CID 43148884

1-[4-(trifluoromethyl)phenyl]-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C14H10F3N3
SMILES
C1=CC=C2C(=C1)N=C(N2C3=CC=C(C=C3)C(F)(F)F)N
InChI
InChI=1S/C14H10F3N3/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)19-13(20)18/h1-8H,(H2,18,19)
InChIKey
BRWKSJBNAPXREO-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

277.08267 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08995 158.5
[M+Na]+ 300.07189 170.2
[M-H]- 276.07539 160.5
[M+NH4]+ 295.11649 174.7
[M+K]+ 316.04583 163.7
[M+H-H2O]+ 260.07993 147.9
[M+HCOO]- 322.08087 177.9
[M+CH3COO]- 336.09652 170.4
[M+Na-2H]- 298.05734 164.2
[M]+ 277.08212 155.5
[M]- 277.08322 155.5
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