CID 91130

24155-45-1

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O

SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)O)Cl

InChI

InChI=1S/C11H11ClN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2

InChIKey

HMMMTSXSWRPUOJ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 16
Patents: 222.05598 Da
Monoisotopic Mass: 1.8
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]+	223.06326	146.5
[M+Na]+	245.04520	155.2
[M-H]-	221.04870	149.2
[M+NH4]+	240.08980	163.8
[M+K]+	261.01914	150.3
[M+H-H2O]+	205.05324	138.8
[M+HCOO]-	267.05418	163.0
[M+CH3COO]-	281.06983	158.7
[M+Na-2H]-	243.03065	150.6
[M]+	222.05543	147.5
[M]-	222.05653	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe