CID 469156

Chembl277233

Structural Information

Molecular Formula
C14H8BrCl3N2
SMILES
C1=CC(=CC(=C1)Cl)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C14H8BrCl3N2/c15-14-19-12-5-10(17)11(18)6-13(12)20(14)7-8-2-1-3-9(16)4-8/h1-6H,7H2
InChIKey
YOHBVVJGCRBLIY-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1-[(3-chlorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.89365 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.90093 171.1
[M+Na]+ 410.88287 188.4
[M-H]- 386.88637 177.6
[M+NH4]+ 405.92747 188.9
[M+K]+ 426.85681 172.9
[M+H-H2O]+ 370.89091 170.5
[M+HCOO]- 432.89185 177.5
[M+CH3COO]- 446.90750 184.6
[M+Na-2H]- 408.86832 175.4
[M]+ 387.89310 194.7
[M]- 387.89420 194.7
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.