CID 11709387

5-bromo-1-(4-nitrophenyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H6BrN3O4
SMILES
C1=CC(=CC=C1N2C=C(C(=O)NC2=O)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H6BrN3O4/c11-8-5-13(10(16)12-9(8)15)6-1-3-7(4-2-6)14(17)18/h1-5H,(H,12,15,16)
InChIKey
NJEUHPFLLDUQQM-UHFFFAOYSA-N
Compound name
5-bromo-1-(4-nitrophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.95416 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.96144 152.5
[M+Na]+ 333.94338 164.9
[M-H]- 309.94688 159.1
[M+NH4]+ 328.98798 167.1
[M+K]+ 349.91732 148.8
[M+H-H2O]+ 293.95142 154.6
[M+HCOO]- 355.95236 173.3
[M+CH3COO]- 369.96801 191.2
[M+Na-2H]- 331.92883 161.9
[M]+ 310.95361 170.3
[M]- 310.95471 170.3
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

No patent data available for this compound.