CID 5281611

3,7,4'-trihydroxyflavone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

15
References

170
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 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