CID 42608091

5,2',3'-trihydroxy-6,7-methylenedioxyflavanone

Structural Information

Molecular Formula
C16H12O7
SMILES
C1C(OC2=CC3=C(C(=C2C1=O)O)OCO3)C4=C(C(=CC=C4)O)O
InChI
InChI=1S/C16H12O7/c17-8-3-1-2-7(14(8)19)10-4-9(18)13-11(23-10)5-12-16(15(13)20)22-6-21-12/h1-3,5,10,17,19-20H,4,6H2
InChIKey
KGKAAUBCGDPTDT-UHFFFAOYSA-N
Compound name
6-(2,3-dihydroxyphenyl)-9-hydroxy-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

316.0583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 166.1
[M+Na]+ 339.04752 175.4
[M-H]- 315.05102 173.8
[M+NH4]+ 334.09212 178.6
[M+K]+ 355.02146 174.9
[M+H-H2O]+ 299.05556 160.6
[M+HCOO]- 361.05650 179.7
[M+CH3COO]- 375.07215 177.7
[M+Na-2H]- 337.03297 170.7
[M]+ 316.05775 168.6
[M]- 316.05885 168.6
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