CID 5322065

7,3',4'-trihydroxyflavone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H
InChIKey
PVFGJHYLIHMCQD-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

193
Patents

270.05283 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 156.8
[M+Na]+ 293.04205 172.8
[M+NH4]+ 288.08665 164.3
[M+K]+ 309.01599 167.0
[M-H]- 269.04555 161.5
[M+Na-2H]- 291.02750 163.9
[M]+ 270.05228 160.5
[M]- 270.05338 160.5
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