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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.081216	159.9
[M+Na]+	317.063158	166.8
[M-H]-	293.066664	163.7
[M+NH4]+	312.107763	175.1
[M+K]+	333.037098	167.5
[M+H-H2O]+	277.071200	153.3
[M+HCOO]-	339.072141	181.2
[M+CH3COO]-	353.087791	201.5
[M+Na-2H]-	315.048606	159.9
[M]+	294.07339142	167.1
[M]-	294.07448858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.