CID 85605044

7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene

Structural Information

Molecular Formula
C16H12O5
SMILES
C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC4=C(C=C3O)OCO4
InChI
InChI=1S/C16H12O5/c17-11-2-1-9-3-10(7-19-14(9)4-11)12-5-15-16(6-13(12)18)21-8-20-15/h1-6,17-18H,7-8H2
InChIKey
NSLWGXNKAGTHTP-UHFFFAOYSA-N
Compound name
3-(6-hydroxy-1,3-benzodioxol-5-yl)-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

284.06848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 159.3
[M+Na]+ 307.057698 168.6
[M-H]- 283.061204 168.0
[M+NH4]+ 302.102303 173.7
[M+K]+ 323.031638 167.8
[M+H-H2O]+ 267.065740 153.5
[M+HCOO]- 329.066681 175.6
[M+CH3COO]- 343.082331 171.9
[M+Na-2H]- 305.043146 166.1
[M]+ 284.06793142 161.8
[M]- 284.06902858 161.8
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.