CID 45080286

63447-41-6

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=NC(=O)C(C(=O)N1)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,(H,6,7,8,9)
InChIKey
WWXOASYAWAXCPN-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.98831 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.99559 123.0
[M+Na]+ 168.97753 133.2
[M-H]- 144.98103 122.8
[M+NH4]+ 164.02213 142.0
[M+K]+ 184.95147 129.8
[M+H-H2O]+ 128.98557 117.7
[M+HCOO]- 190.98651 138.4
[M+CH3COO]- 205.00216 168.1
[M+Na-2H]- 166.96298 129.6
[M]+ 145.98776 121.4
[M]- 145.98886 121.4
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.