CID 469153

Chembl276979

Structural Information

Molecular Formula
C15H11BrCl2N2O
SMILES
COC1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C15H11BrCl2N2O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
InChIKey
MQFKOLKTXURXMZ-UHFFFAOYSA-N
Compound name
2-bromo-5,6-dichloro-1-[(4-methoxyphenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.94318 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.95046 173.8
[M+Na]+ 406.93240 190.7
[M-H]- 382.93590 181.8
[M+NH4]+ 401.97700 191.9
[M+K]+ 422.90634 175.9
[M+H-H2O]+ 366.94044 173.0
[M+HCOO]- 428.94138 185.4
[M+CH3COO]- 442.95703 188.0
[M+Na-2H]- 404.91785 178.7
[M]+ 383.94263 199.5
[M]- 383.94373 199.5
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.