CID 511893

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

Structural Information

Molecular Formula
C12H15BrO5
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CBr)O)O)O
InChI
InChI=1S/C12H15BrO5/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
OVKNVYSVWLENQO-RMPHRYRLSA-N
Compound name
(2S,3S,4S,5R,6S)-2-(bromomethyl)-6-phenoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.01028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01756 163.6
[M+Na]+ 340.99950 172.3
[M-H]- 317.00300 169.2
[M+NH4]+ 336.04410 178.5
[M+K]+ 356.97344 162.3
[M+H-H2O]+ 301.00754 162.7
[M+HCOO]- 363.00848 177.4
[M+CH3COO]- 377.02413 194.8
[M+Na-2H]- 338.98495 167.2
[M]+ 318.00973 180.1
[M]- 318.01083 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.