CID 511914

.alpha.-d-arabino-hexopyranoside, 4-chlorophenyl 2-deoxy-

Structural Information

Molecular Formula
C12H15ClO5
SMILES
C1[C@H]([C@@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)Cl)CO)O)O
InChI
InChI=1S/C12H15ClO5/c13-7-1-3-8(4-2-7)17-11-5-9(15)12(16)10(6-14)18-11/h1-4,9-12,14-16H,5-6H2/t9-,10-,11+,12+/m1/s1
InChIKey
ADBDKPJKXLEFKB-WYUUTHIRSA-N
Compound name
(2R,3S,4R,6R)-6-(4-chlorophenoxy)-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0608 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06808 157.0
[M+Na]+ 297.05002 164.2
[M-H]- 273.05352 160.5
[M+NH4]+ 292.09462 171.0
[M+K]+ 313.02396 161.1
[M+H-H2O]+ 257.05806 151.6
[M+HCOO]- 319.05900 168.8
[M+CH3COO]- 333.07465 188.9
[M+Na-2H]- 295.03547 159.7
[M]+ 274.06025 157.3
[M]- 274.06135 157.3
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.