CID 79496

5437-33-2

Structural Information

Molecular Formula

C₅H₃Cl₂NO

SMILES

C1=C(C(=O)NC=C1Cl)Cl

InChI

InChI=1S/C5H3Cl2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)

InChIKey

ZICOPWJJZSJEDL-UHFFFAOYSA-N

Compound name

3,5-dichloro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 243
Patents: 162.95917 Da
Monoisotopic Mass: 1.4
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]+	163.96645	124.3
[M+Na]+	185.94839	139.9
[M+NH4]+	180.99299	133.4
[M+K]+	201.92233	132.6
[M-H]-	161.95189	125.7
[M+Na-2H]-	183.93384	132.2
[M]+	162.95862	127.5
[M]-	162.95972	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe