CID 127722

Ns-638

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

11
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

literature stripe

Patent stripe

patents stripe