CID 12316082

2-(5-bromo-2-((3-chlorobenzyl)oxy)phenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C20H14BrClN2O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Br)OCC4=CC(=CC=C4)Cl
InChI
InChI=1S/C20H14BrClN2O/c21-14-8-9-19(25-12-13-4-3-5-15(22)10-13)16(11-14)20-23-17-6-1-2-7-18(17)24-20/h1-11H,12H2,(H,23,24)
InChIKey
OSKUDFFEOQULKB-UHFFFAOYSA-N
Compound name
2-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.9978 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00508 188.0
[M+Na]+ 434.98702 201.9
[M-H]- 410.99052 197.7
[M+NH4]+ 430.03162 202.9
[M+K]+ 450.96096 186.6
[M+H-H2O]+ 394.99506 185.9
[M+HCOO]- 456.99600 202.7
[M+CH3COO]- 471.01165 200.6
[M+Na-2H]- 432.97247 193.1
[M]+ 411.99725 210.1
[M]- 411.99835 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.