CID 53716604

Fluorodeoxyglucose

Structural Information

Molecular Formula
C6H11FO5
SMILES
C([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)F
InChI
InChI=1S/C6H11FO5/c7-5(11)1-3(9)6(12)4(10)2-8/h3-4,6,8-10,12H,1-2H2/t3-,4-,6+/m1/s1
InChIKey
CEGXZKXILQSJHO-KODRXGBYSA-N
Compound name
(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

114
References

8290
Patents

182.05905 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.066326 137.3
[M+Na]+ 205.048268 142.0
[M-H]- 181.051774 130.6
[M+NH4]+ 200.092873 153.8
[M+K]+ 221.022208 141.5
[M+H-H2O]+ 165.056310 132.0
[M+HCOO]- 227.057251 151.3
[M+CH3COO]- 241.072901 172.7
[M+Na-2H]- 203.033716 136.5
[M]+ 182.05850142 133.6
[M]- 182.05959858 133.6
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