CID 243103

2-(trifluoromethyl)pyrimidine-4,6-diol

Structural Information

Molecular Formula
C5H3F3N2O2
SMILES
C1=C(N=C(NC1=O)C(F)(F)F)O
InChI
InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
InChIKey
AMGBKPNVGVAFEN-UHFFFAOYSA-N
Compound name
4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

180.01466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.021936 129.6
[M+Na]+ 203.003878 140.6
[M-H]- 179.007384 125.0
[M+NH4]+ 198.048483 146.0
[M+K]+ 218.977818 137.0
[M+H-H2O]+ 163.011920 121.3
[M+HCOO]- 225.012861 145.6
[M+CH3COO]- 239.028511 172.9
[M+Na-2H]- 200.989326 136.4
[M]+ 180.01411142 124.1
[M]- 180.01520858 124.1
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