CID 57368647

1053657-17-2

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC(=CC=C1C2=NC=C(N2)CO)Cl

InChI

InChI=1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)10-12-5-9(6-14)13-10/h1-5,14H,6H2,(H,12,13)

InChIKey

GKMJIUZSWDMSNU-UHFFFAOYSA-N

Compound name

[2-(4-chlorophenyl)-1H-imidazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 208.04034 Da
Monoisotopic Mass: 1.5
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]+	209.04762	142.7
[M+Na]+	231.02956	156.9
[M+NH4]+	226.07416	150.9
[M+K]+	247.00350	151.6
[M-H]-	207.03306	144.8
[M+Na-2H]-	229.01501	150.5
[M]+	208.03979	145.5
[M]-	208.04089	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe