CID 2737917

20033-96-9

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

CC(C1=NC2=C(N1)C=C(C=C2)Cl)O

InChI

InChI=1S/C9H9ClN2O/c1-5(13)9-11-7-3-2-6(10)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)

InChIKey

VFJYRNNAJWCSRK-UHFFFAOYSA-N

Compound name

1-(6-chloro-1H-benzimidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 196.04034 Da
Monoisotopic Mass: 2.0
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]+	197.047616	138.2
[M+Na]+	219.029558	149.5
[M-H]-	195.033064	138.2
[M+NH4]+	214.074163	157.7
[M+K]+	235.003498	143.9
[M+H-H2O]+	179.037600	132.6
[M+HCOO]-	241.038541	153.8
[M+CH3COO]-	255.054191	151.3
[M+Na-2H]-	217.015006	143.9
[M]+	196.03979142	139.9
[M]-	196.04088858	139.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.