CID 32234

N-(2-chlorophenacyl)imidazole nitrate

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

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

InChI

InChI=1S/C11H9ClN2O/c12-10-4-2-1-3-9(10)11(15)7-14-6-5-13-8-14/h1-6,8H,7H2

InChIKey

ZWVJLGSRDFLDDU-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-2-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 220.04034 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]+	221.04762	145.5
[M+Na]+	243.02956	160.0
[M+NH4]+	238.07416	154.0
[M+K]+	259.00350	154.3
[M-H]-	219.03306	148.2
[M+Na-2H]-	241.01501	154.2
[M]+	220.03979	148.6
[M]-	220.04089	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe