CID 13963918

3'-hydroxydihydroformononetin

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C16H14O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3
InChIKey
YGHJHKYZTVTYQW-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.3
[M+Na]+ 309.07336 176.9
[M+NH4]+ 304.11796 169.9
[M+K]+ 325.04730 171.0
[M-H]- 285.07686 167.2
[M+Na-2H]- 307.05881 168.1
[M]+ 286.08359 165.8
[M]- 286.08469 165.8
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.