CID 44257594

5,8,2'-trihydroxyflavone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC=C(C(=C1)C2=CC(=O)C3=C(C=CC(=C3O2)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-4-2-1-3-8(9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-7,16-18H
InChIKey
PNLMQENISKSSNZ-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-2-(2-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.05283 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 155.9
[M+Na]+ 293.04205 166.7
[M-H]- 269.04555 161.9
[M+NH4]+ 288.08665 170.4
[M+K]+ 309.01599 163.2
[M+H-H2O]+ 253.05009 149.0
[M+HCOO]- 315.05103 175.4
[M+CH3COO]- 329.06668 168.6
[M+Na-2H]- 291.02750 162.6
[M]+ 270.05228 157.9
[M]- 270.05338 157.9
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.