CID 120673

Glucose, 6-deoxy-6-fluoro-

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]+ 183.066326 134.8
[M+Na]+ 205.048268 142.1
[M-H]- 181.051774 132.7
[M+NH4]+ 200.092873 151.2
[M+K]+ 221.022208 141.1
[M+H-H2O]+ 165.056310 129.6
[M+HCOO]- 227.057251 148.9
[M+CH3COO]- 241.072901 171.6
[M+Na-2H]- 203.033716 137.3
[M]+ 182.05850142 130.2
[M]- 182.05959858 130.2
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