CID 66750

94-49-5

Structural Information

Molecular Formula

C₁₆H₁₄O₄

SMILES

C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14O4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

XFDQLDNQZFOAFK-UHFFFAOYSA-N

Compound name

2-benzoyloxyethyl benzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 6149
Patents: 270.0892 Da
Monoisotopic Mass: 3.5
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]+	271.096476	160.9
[M+Na]+	293.078418	166.4
[M-H]-	269.081924	167.1
[M+NH4]+	288.123023	176.3
[M+K]+	309.052358	164.2
[M+H-H2O]+	253.086460	152.7
[M+HCOO]-	315.087401	183.8
[M+CH3COO]-	329.103051	194.9
[M+Na-2H]-	291.063866	165.4
[M]+	270.08865142	163.5
[M]-	270.08974858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe