CID 125110

3-ft

Structural Information

Molecular Formula
C8H9FN2O3
SMILES
C1CC(OC1)N2C(=O)C(=CNC2=O)F
InChI
InChI=1S/C8H9FN2O3/c9-5-4-10-8(13)11(7(5)12)6-2-1-3-14-6/h4,6H,1-3H2,(H,10,13)
InChIKey
MGYWDJWGVICAEL-UHFFFAOYSA-N
Compound name
5-fluoro-3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

502
Patents

200.05972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06700 136.8
[M+Na]+ 223.04894 146.8
[M-H]- 199.05244 139.5
[M+NH4]+ 218.09354 153.2
[M+K]+ 239.02288 144.6
[M+H-H2O]+ 183.05698 128.9
[M+HCOO]- 245.05792 155.9
[M+CH3COO]- 259.07357 178.3
[M+Na-2H]- 221.03439 140.9
[M]+ 200.05917 134.5
[M]- 200.06027 134.5
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

patents stripe