CID 1089243

40019-65-6

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

C1=CC=C2C(=C1)N=C(N2CCO)Cl

InChI

InChI=1S/C9H9ClN2O/c10-9-11-7-3-1-2-4-8(7)12(9)5-6-13/h1-4,13H,5-6H2

InChIKey

XHXRGDWCSOGFTK-UHFFFAOYSA-N

Compound name

2-(2-chlorobenzimidazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 196.04034 Da
Monoisotopic Mass: 1.6
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]+	197.04762	137.1
[M+Na]+	219.02956	152.1
[M+NH4]+	214.07416	146.1
[M+K]+	235.00350	146.4
[M-H]-	195.03306	138.4
[M+Na-2H]-	217.01501	144.1
[M]+	196.03979	139.9
[M]-	196.04089	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe