CID 469159

Chembl282937

Structural Information

Molecular Formula
C15H11BrCl2N2
SMILES
CC1=CC(=CC=C1)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C15H11BrCl2N2/c1-9-3-2-4-10(5-9)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
InChIKey
OXZSXPGTYQMSMI-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1-[(3-methylphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.94827 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.95555 171.5
[M+Na]+ 390.93749 188.6
[M-H]- 366.94099 179.4
[M+NH4]+ 385.98209 190.2
[M+K]+ 406.91143 173.2
[M+H-H2O]+ 350.94553 170.8
[M+HCOO]- 412.94647 182.9
[M+CH3COO]- 426.96212 185.8
[M+Na-2H]- 388.92294 176.3
[M]+ 367.94772 195.9
[M]- 367.94882 195.9
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.