CID 202801

13330-31-9

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₃

SMILES

CC(COC1=C(C=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C10H10Cl2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)

InChIKey

SCWLXYQCDAPVOO-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 248.0007 Da
Monoisotopic Mass: 3.7
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]+	249.00798	145.8
[M+Na]+	270.98992	155.1
[M-H]-	246.99342	148.0
[M+NH4]+	266.03452	164.0
[M+K]+	286.96386	150.5
[M+H-H2O]+	230.99796	142.4
[M+HCOO]-	292.99890	158.0
[M+CH3COO]-	307.01455	189.4
[M+Na-2H]-	268.97537	148.3
[M]+	248.00015	150.6
[M]-	248.00125	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe