CID 455662

.b.-l-5f-ddu

Structural Information

Molecular Formula
C9H11FN2O4
SMILES
C1C[C@H](O[C@H]1CO)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C9H11FN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m1/s1
InChIKey
IVRKKCRUCYZZTQ-VDTYLAMSSA-N
Compound name
5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

230.07028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07756 144.9
[M+Na]+ 253.05950 154.7
[M-H]- 229.06300 146.5
[M+NH4]+ 248.10410 159.6
[M+K]+ 269.03344 151.9
[M+H-H2O]+ 213.06754 137.1
[M+HCOO]- 275.06848 162.3
[M+CH3COO]- 289.08413 182.4
[M+Na-2H]- 251.04495 147.4
[M]+ 230.06973 142.9
[M]- 230.07083 142.9
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