CID 342904

Brn 3621787

Structural Information

Molecular Formula
C8H8F3N3O3
SMILES
CN1C(=CC(=O)N(C1=O)C)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H8F3N3O3/c1-13-4(12-6(16)8(9,10)11)3-5(15)14(2)7(13)17/h3H,1-2H3,(H,12,16)
InChIKey
TVNKVFHJLUVWJE-UHFFFAOYSA-N
Compound name
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05177 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05905 146.6
[M+Na]+ 274.04099 158.3
[M-H]- 250.04449 145.1
[M+NH4]+ 269.08559 161.5
[M+K]+ 290.01493 155.6
[M+H-H2O]+ 234.04903 137.4
[M+HCOO]- 296.04997 165.2
[M+CH3COO]- 310.06562 195.3
[M+Na-2H]- 272.02644 150.7
[M]+ 251.05122 145.3
[M]- 251.05232 145.3
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

No patent data available for this compound.