CID 515103

5'-deoxy-fiau

Structural Information

Molecular Formula
C9H10FIN2O4
SMILES
C[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=C(C(=O)NC2=O)I)F)O
InChI
InChI=1S/C9H10FIN2O4/c1-3-6(14)5(10)8(17-3)13-2-4(11)7(15)12-9(13)16/h2-3,5-6,8,14H,1H3,(H,12,15,16)/t3-,5+,6-,8-/m1/s1
InChIKey
BJMVGHXOFBSOAE-YTKLMKCDSA-N
Compound name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.96692 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97420 155.7
[M+Na]+ 378.95614 159.7
[M-H]- 354.95964 151.0
[M+NH4]+ 374.00074 165.5
[M+K]+ 394.93008 162.6
[M+H-H2O]+ 338.96418 144.9
[M+HCOO]- 400.96512 168.0
[M+CH3COO]- 414.98077 196.1
[M+Na-2H]- 376.94159 145.0
[M]+ 355.96637 152.1
[M]- 355.96747 152.1
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.