CID 3010628

4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3h-benzo[f]isobenzofuran-1-one

Structural Information

Molecular Formula
C18H12O6
SMILES
C1C2=C(C=C3C=C(C(=CC3=C2C4=CC(=C(C=C4)O)O)O)O)C(=O)O1
InChI
InChI=1S/C18H12O6/c19-13-2-1-8(4-14(13)20)17-10-6-16(22)15(21)5-9(10)3-11-12(17)7-24-18(11)23/h1-6,19-22H,7H2
InChIKey
LVDDJZBTYZUCIZ-UHFFFAOYSA-N
Compound name
4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3H-benzo[f][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.0634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07068 169.6
[M+Na]+ 347.05262 180.1
[M-H]- 323.05612 175.4
[M+NH4]+ 342.09722 184.1
[M+K]+ 363.02656 175.9
[M+H-H2O]+ 307.06066 163.8
[M+HCOO]- 369.06160 185.5
[M+CH3COO]- 383.07725 181.0
[M+Na-2H]- 345.03807 172.6
[M]+ 324.06285 171.4
[M]- 324.06395 171.4
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.