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: 24
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]+	195.068356	139.3
[M+Na]+	217.050298	150.1
[M-H]-	193.053804	139.9
[M+NH4]+	212.094903	159.4
[M+K]+	233.024238	144.1
[M+H-H2O]+	177.058340	132.8
[M+HCOO]-	239.059281	156.8
[M+CH3COO]-	253.074931	152.5
[M+Na-2H]-	215.035746	146.8
[M]+	194.06053142	141.9
[M]-	194.06162858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe