CID 3054111

Ethyl 2-(2-chloro-4-(4-(2-ethoxy-1-methyl-2-oxoethoxy)phenoxy)phenoxy)propanoate

Structural Information

Molecular Formula

C₂₂H₂₅ClO₇

SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CC(=C(C=C2)OC(C)C(=O)OCC)Cl

InChI

InChI=1S/C22H25ClO7/c1-5-26-21(24)14(3)28-16-7-9-17(10-8-16)30-18-11-12-20(19(23)13-18)29-15(4)22(25)27-6-2/h7-15H,5-6H2,1-4H3

InChIKey

LNCDUHLOBCKRAP-UHFFFAOYSA-N

Compound name

ethyl 2-[4-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]phenoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 436.12888 Da
Monoisotopic Mass: 5.2
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]+	437.136156	197.9
[M+Na]+	459.118098	203.2
[M-H]-	435.121604	204.3
[M+NH4]+	454.162703	208.0
[M+K]+	475.092038	201.7
[M+H-H2O]+	419.126140	189.8
[M+HCOO]-	481.127081	213.0
[M+CH3COO]-	495.142731	227.8
[M+Na-2H]-	457.103546	195.3
[M]+	436.12833142	209.5
[M]-	436.12942858	209.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.