CID 201680

Acetic acid, (2-((4-chlorobenzoyl)amino)-5-methoxyphenoxy)-

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₅

SMILES

COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)OCC(=O)O

InChI

InChI=1S/C16H14ClNO5/c1-22-12-6-7-13(14(8-12)23-9-15(19)20)18-16(21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,21)(H,19,20)

InChIKey

YFVPMPQQUFKWEL-UHFFFAOYSA-N

Compound name

2-[2-[(4-chlorobenzoyl)amino]-5-methoxyphenoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.05606 Da
Monoisotopic Mass: 2.9
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]+	336.063336	171.7
[M+Na]+	358.045278	179.2
[M-H]-	334.048784	177.5
[M+NH4]+	353.089883	185.1
[M+K]+	374.019218	175.3
[M+H-H2O]+	318.053320	164.7
[M+HCOO]-	380.054261	189.9
[M+CH3COO]-	394.069911	207.7
[M+Na-2H]-	356.030726	173.9
[M]+	335.05551142	176.9
[M]-	335.05660858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.