CID 10035491

52353-65-8

Structural Information

Molecular Formula

C₁₀H₉ClN₂

SMILES

C1=CC=C(C=C1)C2=NC=C(N2)CCl

InChI

InChI=1S/C10H9ClN2/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)

InChIKey

OFAQOQOKFYLZIS-UHFFFAOYSA-N

Compound name

5-(chloromethyl)-2-phenyl-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 192.04543 Da
Monoisotopic Mass: 2.1
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]+	193.05271	138.9
[M+Na]+	215.03465	148.4
[M-H]-	191.03815	141.5
[M+NH4]+	210.07925	157.5
[M+K]+	231.00859	142.7
[M+H-H2O]+	175.04269	131.4
[M+HCOO]-	237.04363	156.4
[M+CH3COO]-	251.05928	151.8
[M+Na-2H]-	213.02010	144.7
[M]+	192.04488	138.7
[M]-	192.04598	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe