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]+ 285.07576 159.3
[M+Na]+ 307.05770 168.6
[M-H]- 283.06120 168.0
[M+NH4]+ 302.10230 173.7
[M+K]+ 323.03164 167.8
[M+H-H2O]+ 267.06574 153.5
[M+HCOO]- 329.06668 175.6
[M+CH3COO]- 343.08233 171.9
[M+Na-2H]- 305.04315 166.1
[M]+ 284.06793 161.8
[M]- 284.06903 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.