CID 70946

4(3h)-pyrimidinone, 5-chloro-6-hydroxy-

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=NC(=C(C(=O)N1)Cl)O
InChI
InChI=1S/C4H3ClN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChIKey
VZKFMOMJNOUARI-UHFFFAOYSA-N
Compound name
5-chloro-4-hydroxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

145.98831 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.995586 121.3
[M+Na]+ 168.977528 132.8
[M-H]- 144.981034 120.4
[M+NH4]+ 164.022133 139.9
[M+K]+ 184.951468 128.6
[M+H-H2O]+ 128.985570 116.2
[M+HCOO]- 190.986511 137.8
[M+CH3COO]- 205.002161 165.8
[M+Na-2H]- 166.962976 129.3
[M]+ 145.98776142 121.3
[M]- 145.98885858 121.3
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

patents stripe