CID 6479208

1-(2-deoxy-.beta.-d-ribofuranosyl)]-2,4-difluoro-(e)-5-(2-iodovinyl)benzene

Structural Information

Molecular Formula
C13H13F2IO3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=C(C=C(C(=C2)/C=C/I)F)F)CO)O
InChI
InChI=1S/C13H13F2IO3/c14-9-4-10(15)8(3-7(9)1-2-16)12-5-11(18)13(6-17)19-12/h1-4,11-13,17-18H,5-6H2/b2-1+/t11-,12+,13+/m0/s1
InChIKey
BIXXMOJLIZPULX-HROLJSSSSA-N
Compound name
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.98776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.99504 168.3
[M+Na]+ 404.97698 169.9
[M-H]- 380.98048 163.8
[M+NH4]+ 400.02158 179.4
[M+K]+ 420.95092 171.7
[M+H-H2O]+ 364.98502 157.5
[M+HCOO]- 426.98596 180.5
[M+CH3COO]- 441.00161 201.3
[M+Na-2H]- 402.96243 155.7
[M]+ 381.98721 162.7
[M]- 381.98831 162.7
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.