CID 516102

6-(3,5-difluoroanilino)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H7F2N3O2
SMILES
C1=C(C=C(C=C1F)F)NC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C10H7F2N3O2/c11-5-1-6(12)3-7(2-5)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
InChIKey
OONHRUPRMSSJQQ-UHFFFAOYSA-N
Compound name
6-(3,5-difluoroanilino)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.05063 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.057906 146.7
[M+Na]+ 262.039848 157.7
[M-H]- 238.043354 146.7
[M+NH4]+ 257.084453 160.3
[M+K]+ 278.013788 151.2
[M+H-H2O]+ 222.047890 137.0
[M+HCOO]- 284.048831 166.4
[M+CH3COO]- 298.064481 188.2
[M+Na-2H]- 260.025296 152.3
[M]+ 239.05008142 141.9
[M]- 239.05117858 141.9
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.