CID 97308

85117-87-9

Structural Information

Molecular Formula
C16H16O9
SMILES
CC(=O)OCC(=O)C1=CC(=C(C(=C1)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H16O9/c1-8(17)22-7-13(21)12-5-14(23-9(2)18)16(25-11(4)20)15(6-12)24-10(3)19/h5-6H,7H2,1-4H3
InChIKey
YBPOUYKRSJRDEC-UHFFFAOYSA-N
Compound name
[2-oxo-2-(3,4,5-triacetyloxyphenyl)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.07944 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08672 169.8
[M+Na]+ 375.06866 176.4
[M-H]- 351.07216 173.7
[M+NH4]+ 370.11326 182.6
[M+K]+ 391.04260 178.3
[M+H-H2O]+ 335.07670 163.1
[M+HCOO]- 397.07764 190.1
[M+CH3COO]- 411.09329 212.7
[M+Na-2H]- 373.05411 167.7
[M]+ 352.07889 179.7
[M]- 352.07999 179.7
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

patents stripe