CID 484770

5-fluoro-1-[(1s,3s)-3-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12F2N2O3
SMILES
C1C[C@](C[C@H]1N2C=C(C(=O)NC2=O)F)(CO)F
InChI
InChI=1S/C10H12F2N2O3/c11-7-4-14(9(17)13-8(7)16)6-1-2-10(12,3-6)5-15/h4,6,15H,1-3,5H2,(H,13,16,17)/t6-,10-/m0/s1
InChIKey
PQUYYUIPGSGRMI-WKEGUHRASA-N
Compound name
5-fluoro-1-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0816 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08888 147.5
[M+Na]+ 269.07082 158.0
[M-H]- 245.07432 147.3
[M+NH4]+ 264.11542 164.9
[M+K]+ 285.04476 153.3
[M+H-H2O]+ 229.07886 139.5
[M+HCOO]- 291.07980 164.4
[M+CH3COO]- 305.09545 185.3
[M+Na-2H]- 267.05627 149.6
[M]+ 246.08105 143.1
[M]- 246.08215 143.1
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

No patent data available for this compound.