CID 248472

778-83-6

Structural Information

Molecular Formula

C₉H₇Cl₃O₃

SMILES

CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)

InChIKey

HNDLJIIQWDVRRI-UHFFFAOYSA-N

Compound name

2-(2,4,6-trichlorophenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 267.94608 Da
Monoisotopic Mass: 3.8
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]+	268.95336	149.5
[M+Na]+	290.93530	163.3
[M+NH4]+	285.97990	157.2
[M+K]+	306.90924	157.1
[M-H]-	266.93880	149.9
[M+Na-2H]-	288.92075	154.7
[M]+	267.94553	152.4
[M]-	267.94663	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe