CID 16084893

92152-36-8

Structural Information

Molecular Formula

C₁₄H₁₁BrN₂

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=CC=C3Br

InChI

InChI=1S/C14H11BrN2/c1-17-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3

InChIKey

GXKNXZLRJJKVDG-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 286.01056 Da
Monoisotopic Mass: 3.8
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]+	287.017836	156.4
[M+Na]+	308.999778	171.0
[M-H]-	285.003284	165.1
[M+NH4]+	304.044383	176.7
[M+K]+	324.973718	158.6
[M+H-H2O]+	269.007820	155.4
[M+HCOO]-	331.008761	177.9
[M+CH3COO]-	345.024411	171.8
[M+Na-2H]-	306.985226	164.3
[M]+	286.01001142	177.3
[M]-	286.01110858	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe