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 174.2
[M+Na]+ 377.03014 180.9
[M-H]- 353.03364 176.0
[M+NH4]+ 372.07474 184.2
[M+K]+ 393.00408 177.1
[M+H-H2O]+ 337.03818 167.3
[M+HCOO]- 399.03912 186.3
[M+CH3COO]- 413.05477 200.8
[M+Na-2H]- 375.01559 175.5
[M]+ 354.04037 178.1
[M]- 354.04147 178.1
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.