CID 511907

Phenyl 4,6-dichloro-4,6-dideoxy-.beta.-d-galactopyranoside

Structural Information

Molecular Formula
C12H14Cl2O4
SMILES
C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CCl)Cl)O)O
InChI
InChI=1S/C12H14Cl2O4/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-12,15-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
InChIKey
HNEGHPYVEOZCNO-YBXAARCKSA-N
Compound name
(2S,3R,4R,5R,6R)-5-chloro-6-(chloromethyl)-2-phenoxyoxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.02692 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03420 159.3
[M+Na]+ 315.01614 167.5
[M-H]- 291.01964 163.5
[M+NH4]+ 310.06074 173.9
[M+K]+ 330.99008 163.4
[M+H-H2O]+ 275.02418 154.7
[M+HCOO]- 337.02512 167.5
[M+CH3COO]- 351.04077 193.4
[M+Na-2H]- 313.00159 161.7
[M]+ 292.02637 161.2
[M]- 292.02747 161.2
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.