CID 11715784

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

Structural Information

Molecular Formula
C10H6FN3O4
SMILES
C1=CC(=CC=C1N2C=C(C(=O)NC2=O)F)[N+](=O)[O-]
InChI
InChI=1S/C10H6FN3O4/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
OXXISJSFCKHSEU-UHFFFAOYSA-N
Compound name
5-fluoro-1-(4-nitrophenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.03424 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04152 146.9
[M+Na]+ 274.02346 157.1
[M-H]- 250.02696 149.7
[M+NH4]+ 269.06806 159.9
[M+K]+ 289.99740 148.5
[M+H-H2O]+ 234.03150 142.3
[M+HCOO]- 296.03244 169.1
[M+CH3COO]- 310.04809 183.9
[M+Na-2H]- 272.00891 154.9
[M]+ 251.03369 144.2
[M]- 251.03479 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe