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
1
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]+ 190.94507 125.5
[M+Na]+ 212.92701 138.0
[M-H]- 188.93051 128.3
[M+NH4]+ 207.97161 145.6
[M+K]+ 228.90095 127.3
[M+H-H2O]+ 172.93505 125.5
[M+HCOO]- 234.93599 143.3
[M+CH3COO]- 248.95164 175.4
[M+Na-2H]- 210.91246 133.7
[M]+ 189.93724 141.0
[M]- 189.93834 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.