CID 343079

Maxima isoflavone a

Structural Information

Molecular Formula
C17H10O6
SMILES
C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC5=C4OCO5
InChI
InChI=1S/C17H10O6/c18-15-10-2-4-13-17(23-8-21-13)16(10)19-6-11(15)9-1-3-12-14(5-9)22-7-20-12/h1-6H,7-8H2
InChIKey
HDEHMKSXXSBSHM-UHFFFAOYSA-N
Compound name
7-(1,3-benzodioxol-5-yl)-[1,3]dioxolo[4,5-h]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.04773 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05501 162.0
[M+Na]+ 333.03695 173.4
[M-H]- 309.04045 175.7
[M+NH4]+ 328.08155 176.5
[M+K]+ 349.01089 175.4
[M+H-H2O]+ 293.04499 158.6
[M+HCOO]- 355.04593 179.5
[M+CH3COO]- 369.06158 176.2
[M+Na-2H]- 331.02240 169.0
[M]+ 310.04718 169.7
[M]- 310.04828 169.7
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.