CID 58786146

(2s,3r,4r,5s,6r)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

Structural Information

Molecular Formula
C12H15BrO5
SMILES
C1=CC(=CC(=C1)Br)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C12H15BrO5/c13-7-3-1-2-6(4-7)12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
InChIKey
ZDXIADNHCPCQET-ZIQFBCGOSA-N
Compound name
(2S,3R,4R,5S,6R)-2-(3-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.01028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.01756 164.5
[M+Na]+ 340.99950 173.5
[M-H]- 317.00300 169.1
[M+NH4]+ 336.04410 178.9
[M+K]+ 356.97344 162.7
[M+H-H2O]+ 301.00754 163.8
[M+HCOO]- 363.00848 176.7
[M+CH3COO]- 377.02413 194.0
[M+Na-2H]- 338.98495 166.8
[M]+ 318.00973 179.6
[M]- 318.01083 179.6
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

patents stripe