CID 1810419

62780-89-6

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCCl

InChI

InChI=1S/C10H11ClN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)

InChIKey

GUMPYDGUYXOYML-UHFFFAOYSA-N

Compound name

3-(3-chloropropyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 210.05598 Da
Monoisotopic Mass: 1.7
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]+	211.06326	141.9
[M+Na]+	233.04520	153.8
[M-H]-	209.04870	143.0
[M+NH4]+	228.08980	161.6
[M+K]+	249.01914	147.8
[M+H-H2O]+	193.05324	135.6
[M+HCOO]-	255.05418	159.8
[M+CH3COO]-	269.06983	155.4
[M+Na-2H]-	231.03065	148.6
[M]+	210.05543	145.7
[M]-	210.05653	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe