CID 11550598

78097-09-3

Structural Information

Molecular Formula
C8H9F3N2O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)C(F)(F)F
InChI
InChI=1S/C8H9F3N2O4/c9-8(10,11)5-3-13(4-17-2-1-14)7(16)12-6(5)15/h3,14H,1-2,4H2,(H,12,15,16)
InChIKey
OWCMCWCMGDILNA-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.05144 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05872 147.9
[M+Na]+ 277.04066 158.5
[M-H]- 253.04416 143.1
[M+NH4]+ 272.08526 161.3
[M+K]+ 293.01460 154.7
[M+H-H2O]+ 237.04870 138.8
[M+HCOO]- 299.04964 163.5
[M+CH3COO]- 313.06529 186.8
[M+Na-2H]- 275.02611 152.5
[M]+ 254.05089 146.0
[M]- 254.05199 146.0
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.