CID 14016784

Kaempferol 7-o-sulfate

Structural Information

Molecular Formula
C15H10O9S
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O
InChI
InChI=1S/C15H10O9S/c16-8-3-1-7(2-4-8)15-14(19)13(18)12-10(17)5-9(6-11(12)23-15)24-25(20,21)22/h1-6,16-17,19H,(H,20,21,22)
InChIKey
XWYRTWOPMFPHKO-UHFFFAOYSA-N
Compound name
[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.00455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01183 173.8
[M+Na]+ 388.99377 183.7
[M-H]- 364.99727 178.4
[M+NH4]+ 384.03837 183.6
[M+K]+ 404.96771 181.3
[M+H-H2O]+ 349.00181 167.0
[M+HCOO]- 411.00275 186.1
[M+CH3COO]- 425.01840 204.1
[M+Na-2H]- 386.97922 179.6
[M]+ 366.00400 180.4
[M]- 366.00510 180.4
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.