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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.94507	130.5
[M+Na]+	212.92701	133.0
[M+NH4]+	207.97161	134.0
[M+K]+	228.90095	134.4
[M-H]-	188.93051	128.7
[M+Na-2H]-	210.91246	132.4
[M]+	189.93724	128.8
[M]-	189.93834	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.