CID 511899

4-fluorophenyl-beta-d-glucopyranoside

Structural Information

Molecular Formula
C12H15FO6
SMILES
C1=CC(=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F
InChI
InChI=1S/C12H15FO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
BWCHYPPTNWPJDG-RMPHRYRLSA-N
Compound name
(2S,3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

274.08527 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09255 157.8
[M+Na]+ 297.07449 164.6
[M-H]- 273.07799 158.9
[M+NH4]+ 292.11909 170.2
[M+K]+ 313.04843 162.6
[M+H-H2O]+ 257.08253 150.6
[M+HCOO]- 319.08347 171.6
[M+CH3COO]- 333.09912 189.3
[M+Na-2H]- 295.05994 159.1
[M]+ 274.08472 154.9
[M]- 274.08582 154.9
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