CID 469143

Chembl284016

Structural Information

Molecular Formula
C15H8Cl3F3N2
SMILES
C1=CC(=CC=C1CN2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H8Cl3F3N2/c16-10-5-12-13(6-11(10)17)23(14(18)22-12)7-8-1-3-9(4-2-8)15(19,20)21/h1-6H,7H2
InChIKey
CKAYDOURNXKHNI-UHFFFAOYSA-N
Compound name
2,5,6-trichloro-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.97052 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.97780 177.0
[M+Na]+ 400.95974 191.3
[M-H]- 376.96324 177.2
[M+NH4]+ 396.00434 191.2
[M+K]+ 416.93368 182.0
[M+H-H2O]+ 360.96778 167.0
[M+HCOO]- 422.96872 180.0
[M+CH3COO]- 436.98437 187.1
[M+Na-2H]- 398.94519 178.4
[M]+ 377.96997 180.1
[M]- 377.97107 180.1
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.