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

6
Patents

231.02556 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03284 144.5
[M+Na]+ 254.01478 156.8
[M-H]- 230.01828 139.5
[M+NH4]+ 249.05938 158.5
[M+K]+ 269.98872 150.7
[M+H-H2O]+ 214.02282 135.0
[M+HCOO]- 276.02376 158.0
[M+CH3COO]- 290.03941 183.0
[M+Na-2H]- 252.00023 152.1
[M]+ 231.02501 139.3
[M]- 231.02611 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