CID 450503

Fludeoxyglucose f18

Structural Information

Molecular Formula
C6H11FO5
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[18F])O)O)O
InChI
InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1
InChIKey
ZCXUVYAZINUVJD-AHXZWLDOSA-N
Compound name
(2S,3R,4S,5S,6R)-3-(18F)fluoranyl-6-(hydroxymethyl)oxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

39275
References

12097
Patents

181.06158 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06886 136.3
[M+Na]+ 204.05080 144.3
[M+NH4]+ 199.09540 141.5
[M+K]+ 220.02474 142.5
[M-H]- 180.05430 134.4
[M+Na-2H]- 202.03625 136.1
[M]+ 181.06103 136.3
[M]- 181.06213 136.3
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