CID 511891

.beta.-d-glucopyranoside, phenyl 6-deoxy-6-fluoro-

Structural Information

Molecular Formula
C12H15FO5
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CF)O)O)O
InChI
InChI=1S/C12H15FO5/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-12,14-16H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKey
NEHDEILSPQAELK-RMPHRYRLSA-N
Compound name
(2S,3S,4S,5R,6S)-2-(fluoromethyl)-6-phenoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.09036 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09764 154.6
[M+Na]+ 281.07958 161.2
[M-H]- 257.08308 156.8
[M+NH4]+ 276.12418 168.3
[M+K]+ 297.05352 159.3
[M+H-H2O]+ 241.08762 147.3
[M+HCOO]- 303.08856 169.8
[M+CH3COO]- 317.10421 187.8
[M+Na-2H]- 279.06503 157.1
[M]+ 258.08981 151.6
[M]- 258.09091 151.6
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

No patent data available for this compound.