CID 32232

46503-52-0

Structural Information

Molecular Formula

C₁₁H₈Cl₂N₂O

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=CN=C2

InChI

InChI=1S/C11H8Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7H,6H2

InChIKey

YAEYBUZMILPYLT-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 178
Patents: 254.00137 Da
Monoisotopic Mass: 2.8
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]+	255.008646	151.4
[M+Na]+	276.990588	162.0
[M-H]-	252.994094	155.0
[M+NH4]+	272.035193	168.7
[M+K]+	292.964528	156.1
[M+H-H2O]+	236.998630	144.0
[M+HCOO]-	298.999571	164.3
[M+CH3COO]-	313.015221	163.9
[M+Na-2H]-	274.976036	154.4
[M]+	254.00082142	155.0
[M]-	254.00191858	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe