CID 14289791

2-(4-bromobenzyl)-1h-benzimidazole

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

1
Annotation Hits: 1
References: 38
Patents: 286.01056 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.01784	159.2
[M+Na]+	308.99978	165.6
[M+NH4]+	304.04438	164.8
[M+K]+	324.97372	164.5
[M-H]-	285.00328	161.6
[M+Na-2H]-	306.98523	165.0
[M]+	286.01001	159.8
[M]-	286.01111	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe