CID 454162

2'f-dd-ara-pyrim-2one

Structural Information

Molecular Formula
C9H11FN2O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=CC=NC2=O)CO
InChI
InChI=1S/C9H11FN2O3/c10-7-4-6(5-13)15-8(7)12-3-1-2-11-9(12)14/h1-3,6-8,13H,4-5H2/t6-,7-,8+/m0/s1
InChIKey
JISXOEDIDNBDSP-BIIVOSGPSA-N
Compound name
1-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

214.07536 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08264 142.1
[M+Na]+ 237.06458 151.3
[M-H]- 213.06808 144.6
[M+NH4]+ 232.10918 158.0
[M+K]+ 253.03852 149.5
[M+H-H2O]+ 197.07262 133.9
[M+HCOO]- 259.07356 160.7
[M+CH3COO]- 273.08921 182.0
[M+Na-2H]- 235.05003 145.7
[M]+ 214.07481 140.8
[M]- 214.07591 140.8
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