CID 511894

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

Structural Information

Molecular Formula
C12H15IO5
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CI)O)O)O
InChI
InChI=1S/C12H15IO5/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
DZOVVAQRYWJSJE-RMPHRYRLSA-N
Compound name
(2S,3S,4S,5R,6S)-2-(iodomethyl)-6-phenoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.99643 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00371 171.2
[M+Na]+ 388.98565 170.1
[M-H]- 364.98915 167.3
[M+NH4]+ 384.03025 179.9
[M+K]+ 404.95959 174.1
[M+H-H2O]+ 348.99369 160.7
[M+HCOO]- 410.99463 182.0
[M+CH3COO]- 425.01028 196.1
[M+Na-2H]- 386.97110 161.2
[M]+ 365.99588 166.5
[M]- 365.99698 166.5
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

No patent data available for this compound.