CID 469160

Chembl22402

Structural Information

Molecular Formula
C15H8BrCl2F3N2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C15H8BrCl2F3N2/c16-14-22-12-5-10(17)11(18)6-13(12)23(14)7-8-2-1-3-9(4-8)15(19,20)21/h1-6H,7H2
InChIKey
AHCWMTZWHMFULG-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.92 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.92728 183.6
[M+Na]+ 444.90922 201.1
[M-H]- 420.91272 188.1
[M+NH4]+ 439.95382 200.2
[M+K]+ 460.88316 184.8
[M+H-H2O]+ 404.91726 180.5
[M+HCOO]- 466.91820 190.6
[M+CH3COO]- 480.93385 196.2
[M+Na-2H]- 442.89467 187.1
[M]+ 421.91945 204.6
[M]- 421.92055 204.6
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.