CID 43085757

Methyl 3-(2,4-dichlorophenoxy)propanoate

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₃

SMILES

COC(=O)CCOC1=C(C=C(C=C1)Cl)Cl

InChI

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

InChIKey

MKNBYTBUULRHFA-UHFFFAOYSA-N

Compound name

methyl 3-(2,4-dichlorophenoxy)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.0007 Da
Monoisotopic Mass: 3.5
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]+	249.007976	146.4
[M+Na]+	270.989918	156.4
[M-H]-	246.993424	149.8
[M+NH4]+	266.034523	165.4
[M+K]+	286.963858	152.3
[M+H-H2O]+	230.997960	142.5
[M+HCOO]-	292.998901	161.0
[M+CH3COO]-	307.014551	190.4
[M+Na-2H]-	268.975366	150.5
[M]+	248.00015142	153.4
[M]-	248.00124858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.