CID 417474

54104-37-9

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂

SMILES

C1=CC=C2C(=C1)NC(=N2)CCCCl

InChI

InChI=1S/C10H11ClN2/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6-7H2,(H,12,13)

InChIKey

VDXWVKUSGCEVES-UHFFFAOYSA-N

Compound name

2-(3-chloropropyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 194.06108 Da
Monoisotopic Mass: 2.5
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	139.3
[M+Na]+	217.05030	150.1
[M-H]-	193.05380	139.9
[M+NH4]+	212.09490	159.4
[M+K]+	233.02424	144.1
[M+H-H2O]+	177.05834	132.8
[M+HCOO]-	239.05928	156.8
[M+CH3COO]-	253.07493	152.5
[M+Na-2H]-	215.03575	146.8
[M]+	194.06053	141.9
[M]-	194.06163	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe