CID 71316322

Unii-tuh9e24u7y

Structural Information

Molecular Formula
C8H10FN3O4S
SMILES
C1[C@H](O[C@H]([S@@]1=O)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+,17+/m0/s1
InChIKey
DMOMZPWPIDCLMB-WYDPKHCQSA-N
Compound name
4-amino-5-fluoro-1-[(2R,3R,5S)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.0376 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04488 152.0
[M+Na]+ 286.02682 162.8
[M-H]- 262.03032 155.0
[M+NH4]+ 281.07142 166.4
[M+K]+ 302.00076 159.6
[M+H-H2O]+ 246.03486 144.5
[M+HCOO]- 308.03580 166.7
[M+CH3COO]- 322.05145 191.5
[M+Na-2H]- 284.01227 151.5
[M]+ 263.03705 152.5
[M]- 263.03815 152.5
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.