CID 137700802

Chebi:147301

Structural Information

Molecular Formula

C₅H₃Cl₂NO₂

SMILES

C1=C(C(=O)NC(=C1O)Cl)Cl

InChI

InChI=1S/C5H3Cl2NO2/c6-2-1-3(9)4(7)8-5(2)10/h1,9H,(H,8,10)

InChIKey

NMDKZMIQHHSAFC-UHFFFAOYSA-N

Compound name

3,6-dichloro-5-hydroxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.95409 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]+	179.96137	125.8
[M+Na]+	201.94331	138.0
[M-H]-	177.94681	125.9
[M+NH4]+	196.98791	145.1
[M+K]+	217.91725	132.4
[M+H-H2O]+	161.95135	122.6
[M+HCOO]-	223.95229	138.3
[M+CH3COO]-	237.96794	172.2
[M+Na-2H]-	199.92876	131.9
[M]+	178.95354	127.1
[M]-	178.95464	127.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.