CID 68614

18f-flurodeoxyglucose

Structural Information

Molecular Formula
C6H11FO5
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)[18F])O)O)O)O
InChI
InChI=1S/C6H11FO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2H2/t3-,4+,5+,6+/m0/s1/i7-1
InChIKey
AOYNUTHNTBLRMT-MXWOLSILSA-N
Compound name
(2R,3S,4R,5R)-2-(18F)fluoranyl-3,4,5,6-tetrahydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

39594
References

10791
Patents

181.06158 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06886 137.1
[M+Na]+ 204.05080 141.8
[M-H]- 180.05430 130.4
[M+NH4]+ 199.09540 153.7
[M+K]+ 220.02474 141.3
[M+H-H2O]+ 164.05884 131.8
[M+HCOO]- 226.05978 151.2
[M+CH3COO]- 240.07543 172.6
[M+Na-2H]- 202.03625 136.3
[M]+ 181.06103 133.4
[M]- 181.06213 133.4
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