CID 451567

2',3'-dideoxy-3'-fluoro-5-iodouridine

Structural Information

Molecular Formula
C9H10FIN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)F
InChI
InChI=1S/C9H10FIN2O4/c10-4-1-7(17-6(4)3-14)13-2-5(11)8(15)12-9(13)16/h2,4,6-7,14H,1,3H2,(H,12,15,16)/t4-,6+,7+/m0/s1
InChIKey
FKHGYIRFPRYMOH-UBKIQSJTSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

53
Patents

355.96692 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97420 156.3
[M+Na]+ 378.95614 159.5
[M-H]- 354.95964 151.2
[M+NH4]+ 374.00074 165.8
[M+K]+ 394.93008 162.3
[M+H-H2O]+ 338.96418 145.2
[M+HCOO]- 400.96512 168.7
[M+CH3COO]- 414.98077 194.8
[M+Na-2H]- 376.94159 146.2
[M]+ 355.96637 152.3
[M]- 355.96747 152.3
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