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

13
Patents

145.98831 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.99559 121.3
[M+Na]+ 168.97753 132.8
[M-H]- 144.98103 120.4
[M+NH4]+ 164.02213 139.9
[M+K]+ 184.95147 128.6
[M+H-H2O]+ 128.98557 116.2
[M+HCOO]- 190.98651 137.8
[M+CH3COO]- 205.00216 165.8
[M+Na-2H]- 166.96298 129.3
[M]+ 145.98776 121.3
[M]- 145.98886 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