CID 12408432

2378502-46-4

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

CCN1C2=CC=CC=C2N=C1CCl

InChI

InChI=1S/C10H11ClN2/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11/h3-6H,2,7H2,1H3

InChIKey

NGOCULQAUYHTQF-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-1-ethylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 194.06108 Da
Monoisotopic Mass: 2.2
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]+	195.06836	139.1
[M+Na]+	217.05030	151.2
[M-H]-	193.05380	141.4
[M+NH4]+	212.09490	160.2
[M+K]+	233.02424	146.1
[M+H-H2O]+	177.05834	132.5
[M+HCOO]-	239.05928	158.0
[M+CH3COO]-	253.07493	153.3
[M+Na-2H]-	215.03575	146.2
[M]+	194.06053	143.9
[M]-	194.06163	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe