CID 469129

Chembl25270

Structural Information

Molecular Formula
C15H10Cl2F3N3
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2N)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H10Cl2F3N3/c16-10-5-12-13(6-11(10)17)23(14(21)22-12)7-8-1-3-9(4-2-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
InChIKey
YVMCQDSKGIJVDG-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.0204 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02768 176.6
[M+Na]+ 382.00962 190.4
[M-H]- 358.01312 177.8
[M+NH4]+ 377.05422 191.1
[M+K]+ 397.98356 181.1
[M+H-H2O]+ 342.01766 166.5
[M+HCOO]- 404.01860 185.6
[M+CH3COO]- 418.03425 187.2
[M+Na-2H]- 379.99507 178.7
[M]+ 359.01985 178.1
[M]- 359.02095 178.1
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

No patent data available for this compound.