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]+ 325.10704 173.4
[M+Na]+ 347.08898 180.4
[M-H]- 323.09248 181.1
[M+NH4]+ 342.13358 189.8
[M+K]+ 363.06292 177.5
[M+H-H2O]+ 307.09702 166.1
[M+HCOO]- 369.09796 194.6
[M+CH3COO]- 383.11361 207.4
[M+Na-2H]- 345.07443 174.0
[M]+ 324.09921 177.1
[M]- 324.10031 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.