CID 42608090

5,2'-dihydroxy-6,7-methylenedioxyflavanone

Structural Information

Molecular Formula
C16H12O6
SMILES
C1[C@H](OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=CC=CC=C4O
InChI
InChI=1S/C16H12O6/c17-9-4-2-1-3-8(9)11-5-10(18)14-12(22-11)6-13-16(15(14)19)21-7-20-13/h1-4,6,11,17,19H,5,7H2/t11-/m0/s1
InChIKey
CFAXKRNPHJYYNQ-NSHDSACASA-N
Compound name
(6S)-9-hydroxy-6-(2-hydroxyphenyl)-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 162.6
[M+Na]+ 323.05262 171.8
[M-H]- 299.05612 171.3
[M+NH4]+ 318.09722 176.4
[M+K]+ 339.02656 171.3
[M+H-H2O]+ 283.06066 156.9
[M+HCOO]- 345.06160 177.7
[M+CH3COO]- 359.07725 174.8
[M+Na-2H]- 321.03807 168.0
[M]+ 300.06285 164.9
[M]- 300.06395 164.9
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.