CID 10500456

Kaempferol 8-c-sulfate

Structural Information

Molecular Formula
C15H10O9S
SMILES
C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)S(=O)(=O)O)O)O
InChI
InChI=1S/C15H10O9S/c16-7-3-1-6(2-4-7)13-12(20)11(19)10-8(17)5-9(18)15(14(10)24-13)25(21,22)23/h1-5,16-18,20H,(H,21,22,23)
InChIKey
LXSRUEIBKBIXFV-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromene-8-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.00455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01183 174.2
[M+Na]+ 388.99377 184.3
[M-H]- 364.99727 177.7
[M+NH4]+ 384.03837 183.5
[M+K]+ 404.96771 181.4
[M+H-H2O]+ 349.00181 167.8
[M+HCOO]- 411.00275 184.8
[M+CH3COO]- 425.01840 203.7
[M+Na-2H]- 386.97922 179.0
[M]+ 366.00400 179.5
[M]- 366.00510 179.5
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

patents stripe