CID 69114724

701915-91-5

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₄

SMILES

COCC(C(=O)O)OC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2O4/c1-15-5-9(10(13)14)16-8-3-6(11)2-7(12)4-8/h2-4,9H,5H2,1H3,(H,13,14)

InChIKey

HOAMUXJQCGJKPN-UHFFFAOYSA-N

Compound name

2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 263.9956 Da
Monoisotopic Mass: 2.6
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]+	265.00288	148.0
[M+Na]+	286.98482	157.2
[M-H]-	262.98832	150.3
[M+NH4]+	282.02942	165.6
[M+K]+	302.95876	153.3
[M+H-H2O]+	246.99286	144.5
[M+HCOO]-	308.99380	160.5
[M+CH3COO]-	323.00945	191.5
[M+Na-2H]-	284.97027	150.7
[M]+	263.99505	154.3
[M]-	263.99615	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe