CID 76390859

6,7-dihydro-7,9-dihydroxy-6-phenyl-8h-1,3-dioxolo[4,5-g][1]benzopyran-8-one

Structural Information

Molecular Formula
C16H12O6
SMILES
C1OC2=C(O1)C(=C3C(=C2)OC(C(C3=O)O)C4=CC=CC=C4)O
InChI
InChI=1S/C16H12O6/c17-12-11-9(6-10-16(13(11)18)21-7-20-10)22-15(14(12)19)8-4-2-1-3-5-8/h1-6,14-15,18-19H,7H2
InChIKey
WVADKXWSLHLDCL-UHFFFAOYSA-N
Compound name
7,9-dihydroxy-6-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.0634 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.