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

381
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 134.8
[M+Na]+ 205.04827 142.1
[M-H]- 181.05177 132.7
[M+NH4]+ 200.09287 151.2
[M+K]+ 221.02221 141.1
[M+H-H2O]+ 165.05631 129.6
[M+HCOO]- 227.05725 148.9
[M+CH3COO]- 241.07290 171.6
[M+Na-2H]- 203.03372 137.3
[M]+ 182.05850 130.2
[M]- 182.05960 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