CID 206192

1h-imidazole, 2-((4-chlorophenoxy)methyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC(=CC=C1OCC2=NC=CN2)Cl

InChI

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

InChIKey

HPGRVHAOHCWTRK-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenoxy)methyl]-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 208.04034 Da
Monoisotopic Mass: 2.2
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]+	209.047616	141.7
[M+Na]+	231.029558	151.2
[M-H]-	207.033064	144.4
[M+NH4]+	226.074163	159.7
[M+K]+	247.003498	146.0
[M+H-H2O]+	191.037600	134.1
[M+HCOO]-	253.038541	159.5
[M+CH3COO]-	267.054191	154.5
[M+Na-2H]-	229.015006	147.6
[M]+	208.03979142	143.0
[M]-	208.04088858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe