CID 11572945

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

Structural Information

Molecular Formula
C10H5FN4O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C10H5FN4O6/c11-6-4-13(10(17)12-9(6)16)7-2-1-5(14(18)19)3-8(7)15(20)21/h1-4H,(H,12,16,17)
InChIKey
UEMDABNDWCPGBS-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenyl)-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.01932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.02660 156.4
[M+Na]+ 319.00854 164.9
[M-H]- 295.01204 159.5
[M+NH4]+ 314.05314 166.1
[M+K]+ 334.98248 152.7
[M+H-H2O]+ 279.01658 155.7
[M+HCOO]- 341.01752 178.6
[M+CH3COO]- 355.03317 187.4
[M+Na-2H]- 316.99399 165.7
[M]+ 296.01877 152.2
[M]- 296.01987 152.2
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

No patent data available for this compound.