CID 127722

150493-34-8

Structural Information

Molecular Formula
C15H11ClF3N3
SMILES
C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl
InChI
InChI=1S/C15H11ClF3N3/c16-11-4-1-9(2-5-11)8-22-13-6-3-10(15(17,18)19)7-12(13)21-14(22)20/h1-7H,8H2,(H2,20,21)
InChIKey
GXQCVUZORDAARJ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

325.05936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06664 170.3
[M+Na]+ 348.04858 183.1
[M-H]- 324.05208 172.1
[M+NH4]+ 343.09318 185.6
[M+K]+ 364.02252 174.8
[M+H-H2O]+ 308.05662 159.8
[M+HCOO]- 370.05756 184.6
[M+CH3COO]- 384.07321 181.5
[M+Na-2H]- 346.03403 174.1
[M]+ 325.05881 170.2
[M]- 325.05991 170.2
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

No patent data available for this compound.