CID 5420865

5,7-dihydroxy-3-phenoxy-4h-chromen-4-one

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC=C(C=C1)OC2=COC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C15H10O5/c16-9-6-11(17)14-12(7-9)19-8-13(15(14)18)20-10-4-2-1-3-5-10/h1-8,16-17H
InChIKey
BTXMPQREBZRAKM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.05283 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 155.3
[M+Na]+ 293.042048 165.6
[M-H]- 269.045554 162.2
[M+NH4]+ 288.086653 170.1
[M+K]+ 309.015988 162.8
[M+H-H2O]+ 253.050090 147.9
[M+HCOO]- 315.051031 176.3
[M+CH3COO]- 329.066681 192.7
[M+Na-2H]- 291.027496 163.1
[M]+ 270.05228142 158.5
[M]- 270.05337858 158.5
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

No patent data available for this compound.