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

1
Patents

300.0634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.070676 162.6
[M+Na]+ 323.052618 171.8
[M-H]- 299.056124 171.3
[M+NH4]+ 318.097223 176.4
[M+K]+ 339.026558 171.3
[M+H-H2O]+ 283.060660 156.9
[M+HCOO]- 345.061601 177.7
[M+CH3COO]- 359.077251 174.8
[M+Na-2H]- 321.038066 168.0
[M]+ 300.06285142 164.9
[M]- 300.06394858 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

patents stripe