CID 502241

1-(2-deoxy-beta-d-ribofuranosyl)-2,4-difluoro-5-iodobenzene

Structural Information

Molecular Formula
C11H11F2IO3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)I)CO)O
InChI
InChI=1S/C11H11F2IO3/c12-6-2-7(13)8(14)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10+,11+/m0/s1
InChIKey
MMEFZKHZSTYJFA-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

355.9721 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97938 159.9
[M+Na]+ 378.96132 162.0
[M-H]- 354.96482 155.8
[M+NH4]+ 374.00592 172.1
[M+K]+ 394.93526 164.8
[M+H-H2O]+ 338.96936 149.5
[M+HCOO]- 400.97030 172.6
[M+CH3COO]- 414.98595 197.0
[M+Na-2H]- 376.94677 148.4
[M]+ 355.97155 154.5
[M]- 355.97265 154.5
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.