CID 5281614

Fisetin

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
InChIKey
XHEFDIBZLJXQHF-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

999
References

10534
Patents

286.04773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 159.5
[M+Na]+ 309.03695 170.4
[M-H]- 285.04045 164.4
[M+NH4]+ 304.08155 172.7
[M+K]+ 325.01089 167.0
[M+H-H2O]+ 269.04499 152.6
[M+HCOO]- 331.04593 177.4
[M+CH3COO]- 345.06158 193.5
[M+Na-2H]- 307.02240 165.1
[M]+ 286.04718 161.5
[M]- 286.04828 161.5
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