CID 13845913

6-hydroxyluteolin 6-sulfate

Structural Information

Molecular Formula
C15H10O10S
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)OS(=O)(=O)O)O)O)O
InChI
InChI=1S/C15H10O10S/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(24-11)5-10(19)15(14(13)20)25-26(21,22)23/h1-5,16-17,19-20H,(H,21,22,23)
InChIKey
DIPGBWHTGQREOJ-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.99948 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00676 176.5
[M+Na]+ 404.98870 186.0
[M-H]- 380.99220 179.8
[M+NH4]+ 400.03330 184.8
[M+K]+ 420.96264 184.0
[M+H-H2O]+ 364.99674 169.7
[M+HCOO]- 426.99768 187.2
[M+CH3COO]- 441.01333 206.3
[M+Na-2H]- 402.97415 181.6
[M]+ 381.99893 183.1
[M]- 382.00003 183.1
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.