CID 444915

Alpha-d-glucopyranosyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

33
References

370
Patents

182.05905 Da
Monoisotopic Mass

-1.6
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