CID 3054053

70780-47-1

Structural Information

Molecular Formula
C19H14O6
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CC3(C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C19H14O6/c20-14(11-5-6-15-16(9-11)25-8-7-24-15)10-19(23)17(21)12-3-1-2-4-13(12)18(19)22/h1-6,9,23H,7-8,10H2
InChIKey
AIBMYJZNUBFCQN-UHFFFAOYSA-N
Compound name
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 173.5
[M+Na]+ 361.06826 181.9
[M-H]- 337.07176 182.3
[M+NH4]+ 356.11286 189.1
[M+K]+ 377.04220 180.2
[M+H-H2O]+ 321.07630 167.1
[M+HCOO]- 383.07724 189.3
[M+CH3COO]- 397.09289 185.0
[M+Na-2H]- 359.05371 177.9
[M]+ 338.07849 175.7
[M]- 338.07959 175.7
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.