CID 122231132

Dihydronaringenin-o-sulphate

Structural Information

Molecular Formula
C15H14O8S
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C15H14O8S/c16-10-7-13(18)15(14(19)8-10)12(17)6-3-9-1-4-11(5-2-9)23-24(20,21)22/h1-2,4-5,7-8,16,18-19H,3,6H2,(H,20,21,22)
InChIKey
IKBKWHISHDVLNO-UHFFFAOYSA-N
Compound name
[4-[3-oxo-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

354.04092 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04820 176.3
[M+Na]+ 377.03014 186.0
[M+NH4]+ 372.07474 179.7
[M+K]+ 393.00408 182.2
[M-H]- 353.03364 175.0
[M+Na-2H]- 375.01559 179.6
[M]+ 354.04037 177.4
[M]- 354.04147 177.4
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.