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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.97960 122.7
[M+Na]+ 181.96154 134.4
[M-H]- 157.96504 124.7
[M+NH4]+ 177.00614 143.0
[M+K]+ 197.93548 131.2
[M+H-H2O]+ 141.96958 118.5
[M+HCOO]- 203.97052 140.9
[M+CH3COO]- 217.98617 171.3
[M+Na-2H]- 179.94699 129.3
[M]+ 158.97177 124.4
[M]- 158.97287 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.