CID 490249

1-(2-deoxy-.beta.-d-ribofuranosyl)-2,4-difluoro-5-(1-hydroxy-2-iodoethyl)benzene

Structural Information

Molecular Formula
C13H15F2IO4
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)C(CI)O)CO)O
InChI
InChI=1S/C13H15F2IO4/c14-8-2-9(15)7(1-6(8)11(19)4-16)12-3-10(18)13(5-17)20-12/h1-2,10-13,17-19H,3-5H2/t10-,11?,12+,13+/m0/s1
InChIKey
VROMYQNWFGUCHZ-FUODJGDSSA-N
Compound name
(2R,3S,5R)-5-[2,4-difluoro-5-(1-hydroxy-2-iodoethyl)phenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.99832 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.00560 175.1
[M+Na]+ 422.98754 175.4
[M-H]- 398.99104 169.3
[M+NH4]+ 418.03214 184.6
[M+K]+ 438.96148 178.1
[M+H-H2O]+ 382.99558 164.3
[M+HCOO]- 444.99652 184.7
[M+CH3COO]- 459.01217 203.4
[M+Na-2H]- 420.97299 160.8
[M]+ 399.99777 169.2
[M]- 399.99887 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.