CID 113935

63834-68-4

Structural Information

Molecular Formula
C15H21ClO8
SMILES
C1=CC(=CC=C1OCC(CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl
InChI
InChI=1S/C15H21ClO8/c16-8-1-3-10(4-2-8)22-6-9(18)7-23-15-14(21)13(20)12(19)11(5-17)24-15/h1-4,9,11-15,17-21H,5-7H2/t9?,11-,12-,13+,14-,15-/m1/s1
InChIKey
GQPLQQFGMFAROD-UPRNZLQGSA-N
Compound name
(2R,3R,4S,5S,6R)-2-[3-(4-chlorophenoxy)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0925 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.09978 178.6
[M+Na]+ 387.08172 187.5
[M+NH4]+ 382.12632 182.4
[M+K]+ 403.05566 185.4
[M-H]- 363.08522 178.9
[M+Na-2H]- 385.06717 179.0
[M]+ 364.09195 179.7
[M]- 364.09305 179.7
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.