CID 3012252

2'-deoxy-5-fluoro-2-thiouridine

Structural Information

Molecular Formula
C9H11FN2O4S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=S)F)CO)O
InChI
InChI=1S/C9H11FN2O4S/c10-4-2-12(9(17)11-8(4)15)7-1-5(14)6(3-13)16-7/h2,5-7,13-14H,1,3H2,(H,11,15,17)/t5-,6+,7+/m0/s1
InChIKey
GEXRNCMFMLEAFL-RRKCRQDMSA-N
Compound name
5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.04236 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04964 152.7
[M+Na]+ 285.03158 163.1
[M-H]- 261.03508 153.4
[M+NH4]+ 280.07618 166.4
[M+K]+ 301.00552 158.5
[M+H-H2O]+ 245.03962 146.0
[M+HCOO]- 307.04056 163.7
[M+CH3COO]- 321.05621 185.2
[M+Na-2H]- 283.01703 151.2
[M]+ 262.04181 151.7
[M]- 262.04291 151.7
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

No patent data available for this compound.