CID 2737148

154934-97-1

Structural Information

Molecular Formula
C8H7F3N2O3
SMILES
CCOC(=O)C1=C(NC(=O)N=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O3/c1-2-16-6(14)4-3-12-7(15)13-5(4)8(9,10)11/h3H,2H2,1H3,(H,12,13,15)
InChIKey
NDYMZBLTCALOTK-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-6-(trifluoromethyl)-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

236.04088 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04816 144.1
[M+Na]+ 259.03010 154.3
[M-H]- 235.03360 140.5
[M+NH4]+ 254.07470 158.8
[M+K]+ 275.00404 151.3
[M+H-H2O]+ 219.03814 135.0
[M+HCOO]- 281.03908 160.1
[M+CH3COO]- 295.05473 186.0
[M+Na-2H]- 257.01555 148.8
[M]+ 236.04033 141.6
[M]- 236.04143 141.6
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