CID 97511

13275-42-8

Structural Information

Molecular Formula

C₁₃H₉BrN₂

SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Br

InChI

InChI=1S/C13H9BrN2/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,(H,15,16)

InChIKey

KOXRUUGKLDCECO-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 127
Patents: 271.9949 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]+	273.00218	154.6
[M+Na]+	294.98412	161.1
[M+NH4]+	290.02872	160.3
[M+K]+	310.95806	160.3
[M-H]-	270.98762	157.0
[M+Na-2H]-	292.96957	160.7
[M]+	271.99435	155.2
[M]-	271.99545	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe