CID 516100

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

Structural Information

Molecular Formula
C10H7F2N3O2
SMILES
C1=CC(=C(C=C1NC2=CC(=O)NC(=O)N2)F)F
InChI
InChI=1S/C10H7F2N3O2/c11-6-2-1-5(3-7(6)12)13-8-4-9(16)15-10(17)14-8/h1-4H,(H3,13,14,15,16,17)
InChIKey
RLRSWJDAIBSBGP-UHFFFAOYSA-N
Compound name
6-(3,4-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]+ 240.05791 146.7
[M+Na]+ 262.03985 157.7
[M-H]- 238.04335 146.7
[M+NH4]+ 257.08445 160.3
[M+K]+ 278.01379 151.2
[M+H-H2O]+ 222.04789 137.0
[M+HCOO]- 284.04883 166.4
[M+CH3COO]- 298.06448 188.2
[M+Na-2H]- 260.02530 152.3
[M]+ 239.05008 141.9
[M]- 239.05118 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.