CID 120673

6-fluoro-6-deoxy-d-glucopyranose

Structural Information

Molecular Formula
C6H11FO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)F
InChI
InChI=1S/C6H11FO5/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-6,8-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
InChIKey
SHFYXYMHVMDNPY-GASJEMHNSA-N
Compound name
(3R,4S,5S,6S)-6-(fluoromethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

182.05905 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06633 136.4
[M+Na]+ 205.04827 144.4
[M+NH4]+ 200.09287 141.6
[M+K]+ 221.02221 142.6
[M-H]- 181.05177 134.6
[M+Na-2H]- 203.03372 136.3
[M]+ 182.05850 136.5
[M]- 182.05960 136.5
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

patents stripe