CID 453471

3'-f-d-seco-t

Structural Information

Molecular Formula
C10H15FN2O4
SMILES
CC1=CN(C(=O)NC1=O)C(C)OC(CO)CF
InChI
InChI=1S/C10H15FN2O4/c1-6-4-13(10(16)12-9(6)15)7(2)17-8(3-11)5-14/h4,7-8,14H,3,5H2,1-2H3,(H,12,15,16)
InChIKey
WSZUJROKYFCFLB-UHFFFAOYSA-N
Compound name
1-[1-(1-fluoro-3-hydroxypropan-2-yl)oxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10158 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10886 150.6
[M+Na]+ 269.09080 159.3
[M-H]- 245.09430 148.1
[M+NH4]+ 264.13540 164.2
[M+K]+ 285.06474 156.6
[M+H-H2O]+ 229.09884 142.7
[M+HCOO]- 291.09978 167.3
[M+CH3COO]- 305.11543 189.4
[M+Na-2H]- 267.07625 152.2
[M]+ 246.10103 151.3
[M]- 246.10213 151.3
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.