CID 3054056

70780-59-5

Structural Information

Molecular Formula
C19H16O5
SMILES
CCOOC(=O)C(C1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16O5/c1-2-23-24-19(22)15(12-8-4-3-5-9-12)16-17(20)13-10-6-7-11-14(13)18(16)21/h3-11,15-16H,2H2,1H3
InChIKey
JWVRSBLPLSLYOG-UHFFFAOYSA-N
Compound name
ethyl 2-(1,3-dioxoinden-2-yl)-2-phenylethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.107036 173.4
[M+Na]+ 347.088978 180.4
[M-H]- 323.092484 181.1
[M+NH4]+ 342.133583 189.8
[M+K]+ 363.062918 177.5
[M+H-H2O]+ 307.097020 166.1
[M+HCOO]- 369.097961 194.6
[M+CH3COO]- 383.113611 207.4
[M+Na-2H]- 345.074426 174.0
[M]+ 324.09921142 177.1
[M]- 324.10030858 177.1
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.