CID 43846

61888-71-9

Structural Information

Molecular Formula

C₁₇H₁₇ClO₃

SMILES

CCOC(=O)CC1=CC(=CC(=C1)OC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClO3/c1-3-21-17(19)10-12-8-14(11-16(9-12)20-2)13-4-6-15(18)7-5-13/h4-9,11H,3,10H2,1-2H3

InChIKey

AOPMXIBPWNMHOD-UHFFFAOYSA-N

Compound name

ethyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 304.0866 Da
Monoisotopic Mass: 4.3
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]+	305.093876	167.7
[M+Na]+	327.075818	176.6
[M-H]-	303.079324	174.7
[M+NH4]+	322.120423	183.9
[M+K]+	343.049758	171.9
[M+H-H2O]+	287.083860	160.8
[M+HCOO]-	349.084801	186.4
[M+CH3COO]-	363.100451	203.6
[M+Na-2H]-	325.061266	170.4
[M]+	304.08605142	174.2
[M]-	304.08714858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.