CID 54682528

103792-81-0

Structural Information

Molecular Formula
C5H4ClNO2
SMILES
C1=CNC(=O)C(=C1O)Cl
InChI
InChI=1S/C5H4ClNO2/c6-4-3(8)1-2-7-5(4)9/h1-2H,(H2,7,8,9)
InChIKey
IJLSWPCDJFTTSO-UHFFFAOYSA-N
Compound name
3-chloro-4-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.99306 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.00034 121.1
[M+Na]+ 167.98228 132.3
[M-H]- 143.98578 121.6
[M+NH4]+ 163.02688 141.2
[M+K]+ 183.95622 127.9
[M+H-H2O]+ 127.99032 117.0
[M+HCOO]- 189.99126 138.8
[M+CH3COO]- 204.00691 166.0
[M+Na-2H]- 165.96773 128.7
[M]+ 144.99251 121.2
[M]- 144.99361 121.2
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

patents stripe