CID 137059

4-methoxyphenyl benzoate

Structural Information

Molecular Formula

C₁₄H₁₂O₃

SMILES

COC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O3/c1-16-12-7-9-13(10-8-12)17-14(15)11-5-3-2-4-6-11/h2-10H,1H3

InChIKey

PMRMHHUTWZPFIY-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 157
Patents: 228.07864 Da
Monoisotopic Mass: 3.6
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]+	229.08592	149.5
[M+Na]+	251.06786	164.2
[M+NH4]+	246.11246	158.1
[M+K]+	267.04180	156.9
[M-H]-	227.07136	153.8
[M+Na-2H]-	249.05331	159.3
[M]+	228.07809	152.9
[M]-	228.07919	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe