CID 15460423

5,7,4'-trihydroxyflavanone 7-sulfate

Structural Information

Molecular Formula
C15H12O8S
SMILES
C1C(OC2=CC(=CC(=C2C1=O)O)OS(=O)(=O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O8S/c16-9-3-1-8(2-4-9)13-7-12(18)15-11(17)5-10(6-14(15)22-13)23-24(19,20)21/h1-6,13,16-17H,7H2,(H,19,20,21)
InChIKey
LCXKYLMSILXZFG-UHFFFAOYSA-N
Compound name
[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0253 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.03258 171.5
[M+Na]+ 375.01452 179.7
[M-H]- 351.01802 176.4
[M+NH4]+ 370.05912 182.4
[M+K]+ 390.98846 177.4
[M+H-H2O]+ 335.02256 165.0
[M+HCOO]- 397.02350 182.5
[M+CH3COO]- 411.03915 202.7
[M+Na-2H]- 372.99997 176.6
[M]+ 352.02475 175.4
[M]- 352.02585 175.4
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

No patent data available for this compound.