CID 103598

52176-13-3

Structural Information

Molecular Formula
C4H3BrN2O2
SMILES
C1=NC(=O)C(C(=O)N1)Br
InChI
InChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,(H,6,7,8,9)
InChIKey
SGJYMNDTJKWWFN-UHFFFAOYSA-N
Compound name
5-bromo-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

189.93779 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.945066 125.5
[M+Na]+ 212.927008 138.0
[M-H]- 188.930514 128.3
[M+NH4]+ 207.971613 145.6
[M+K]+ 228.900948 127.3
[M+H-H2O]+ 172.935050 125.5
[M+HCOO]- 234.935991 143.3
[M+CH3COO]- 248.951641 175.4
[M+Na-2H]- 210.912456 133.7
[M]+ 189.93724142 141.0
[M]- 189.93833858 141.0
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.