CID 139036275

6-chloropyridine-2,3,5-triol

Structural Information

Molecular Formula
C5H4ClNO3
SMILES
C1=C(C(=O)NC(=C1O)Cl)O
InChI
InChI=1S/C5H4ClNO3/c6-4-2(8)1-3(9)5(10)7-4/h1,8-9H,(H,7,10)
InChIKey
YBXJGUPODIBASS-UHFFFAOYSA-N
Compound name
6-chloro-3,5-dihydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

160.98798 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99526 124.3
[M+Na]+ 183.97720 135.8
[M-H]- 159.98070 123.8
[M+NH4]+ 179.02180 143.2
[M+K]+ 199.95114 131.1
[M+H-H2O]+ 143.98524 120.4
[M+HCOO]- 205.98618 140.6
[M+CH3COO]- 220.00183 166.9
[M+Na-2H]- 181.96265 130.6
[M]+ 160.98743 124.3
[M]- 160.98853 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.