CID 483944

2'-deoxy-5-fluoro-4'-thiouridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

262.04236 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04964 152.2
[M+Na]+ 285.03158 162.4
[M-H]- 261.03508 152.2
[M+NH4]+ 280.07618 167.1
[M+K]+ 301.00552 157.0
[M+H-H2O]+ 245.03962 145.4
[M+HCOO]- 307.04056 164.0
[M+CH3COO]- 321.05621 185.1
[M+Na-2H]- 283.01703 150.2
[M]+ 262.04181 150.7
[M]- 262.04291 150.7
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

patents stripe