CID 139036278

Chebi:144867

Structural Information

Molecular Formula

C₅H₂ClNO₃

SMILES

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

InChI

InChI=1S/C5H2ClNO3/c6-4-2(8)1-3(9)5(10)7-4/h1,8H

InChIKey

DIMRZANPBVLDAV-UHFFFAOYSA-N

Compound name

6-chloro-5-hydroxypyridine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.97232 Da
Monoisotopic Mass: 0.3
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]+	159.97960	124.4
[M+Na]+	181.96154	138.1
[M+NH4]+	177.00614	132.1
[M+K]+	197.93548	132.9
[M-H]-	157.96504	124.6
[M+Na-2H]-	179.94699	130.2
[M]+	158.97177	126.5
[M]-	158.97287	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.