CID 490248

1-(2-deoxy-.beta.-d-ribofuranosyl)-5-(2-bromo-1-hydroxyethyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C13H15BrF2O4
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)C(CBr)O)CO)O
InChI
InChI=1S/C13H15BrF2O4/c14-4-11(19)6-1-7(9(16)2-8(6)15)12-3-10(18)13(5-17)20-12/h1-2,10-13,17-19H,3-5H2/t10-,11?,12+,13+/m0/s1
InChIKey
HTVBSVLTFIENLT-FUODJGDSSA-N
Compound name
(2R,3S,5R)-5-[5-(2-bromo-1-hydroxyethyl)-2,4-difluorophenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.01218 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01946 175.9
[M+Na]+ 375.00140 186.1
[M-H]- 351.00490 179.6
[M+NH4]+ 370.04600 191.5
[M+K]+ 390.97534 174.5
[M+H-H2O]+ 335.00944 174.2
[M+HCOO]- 397.01038 188.3
[M+CH3COO]- 411.02603 202.0
[M+Na-2H]- 372.98685 174.4
[M]+ 352.01163 190.9
[M]- 352.01273 190.9
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.