CID 12158110

779352-04-4

Structural Information

Molecular Formula
C8H4F3N3O2
SMILES
C1=CC(=NC2=C1C(=O)NC(=O)N2)C(F)(F)F
InChI
InChI=1S/C8H4F3N3O2/c9-8(10,11)4-2-1-3-5(12-4)13-7(16)14-6(3)15/h1-2H,(H2,12,13,14,15,16)
InChIKey
CFHGKXKFXKJQSH-UHFFFAOYSA-N
Compound name
7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.02556 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.032836 144.5
[M+Na]+ 254.014778 156.8
[M-H]- 230.018284 139.5
[M+NH4]+ 249.059383 158.5
[M+K]+ 269.988718 150.7
[M+H-H2O]+ 214.022820 135.0
[M+HCOO]- 276.023761 158.0
[M+CH3COO]- 290.039411 183.0
[M+Na-2H]- 252.000226 152.1
[M]+ 231.02501142 139.3
[M]- 231.02610858 139.3
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

patents stripe