CID 14289791

1h-benzimidazole, 2-[(4-bromophenyl)methyl]-

Structural Information

Molecular Formula
C14H11BrN2
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H11BrN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKey
RCFICICMGDCINS-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

36
Patents

286.01056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.017836 156.8
[M+Na]+ 308.999778 170.1
[M-H]- 285.003284 163.8
[M+NH4]+ 304.044383 176.1
[M+K]+ 324.973718 156.8
[M+H-H2O]+ 269.007820 155.9
[M+HCOO]- 331.008761 176.9
[M+CH3COO]- 345.024411 171.2
[M+Na-2H]- 306.985226 165.0
[M]+ 286.01001142 175.6
[M]- 286.01110858 175.6
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

patents stripe