CID 761236

19513-80-5

Structural Information

Molecular Formula

C₁₆H₁₆O₄

SMILES

COC1=CC=C(C=C1)C(=O)COC2=CC=CC=C2OC

InChI

InChI=1S/C16H16O4/c1-18-13-9-7-12(8-10-13)14(17)11-20-16-6-4-3-5-15(16)19-2/h3-10H,11H2,1-2H3

InChIKey

XZENRLBGEKSCQB-UHFFFAOYSA-N

Compound name

2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 272.10486 Da
Monoisotopic Mass: 3.2
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]+	273.112136	160.5
[M+Na]+	295.094078	167.8
[M-H]-	271.097584	167.4
[M+NH4]+	290.138683	176.5
[M+K]+	311.068018	165.8
[M+H-H2O]+	255.102120	152.5
[M+HCOO]-	317.103061	184.3
[M+CH3COO]-	331.118711	198.5
[M+Na-2H]-	293.079526	164.9
[M]+	272.10431142	165.4
[M]-	272.10540858	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe