CID 6451890

4-(2-acetoxyacetyl)-1,2-phenylene diacetate

Structural Information

Molecular Formula
C14H14O7
SMILES
CC(=O)OCC(=O)C1=CC(=C(C=C1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H14O7/c1-8(15)19-7-12(18)11-4-5-13(20-9(2)16)14(6-11)21-10(3)17/h4-6H,7H2,1-3H3
InChIKey
VDJDMWLIQCSQON-UHFFFAOYSA-N
Compound name
[2-(3,4-diacetyloxyphenyl)-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07394 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08122 159.9
[M+Na]+ 317.06316 166.8
[M-H]- 293.06666 163.7
[M+NH4]+ 312.10776 175.1
[M+K]+ 333.03710 167.5
[M+H-H2O]+ 277.07120 153.3
[M+HCOO]- 339.07214 181.2
[M+CH3COO]- 353.08779 201.5
[M+Na-2H]- 315.04861 159.9
[M]+ 294.07339 167.1
[M]- 294.07449 167.1
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.