CID 13686

2-chloroethyl 2-phenoxyacetate

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

C1=CC=C(C=C1)OCC(=O)OCCCl

InChI

InChI=1S/C10H11ClO3/c11-6-7-13-10(12)8-14-9-4-2-1-3-5-9/h1-5H,6-8H2

InChIKey

DOHMOKZZEYNNHH-UHFFFAOYSA-N

Compound name

2-chloroethyl 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.03967 Da
Monoisotopic Mass: 2.0
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]+	215.046946	142.7
[M+Na]+	237.028888	150.5
[M-H]-	213.032394	146.1
[M+NH4]+	232.073493	162.1
[M+K]+	253.002828	147.8
[M+H-H2O]+	197.036930	137.4
[M+HCOO]-	259.037871	162.4
[M+CH3COO]-	273.053521	183.5
[M+Na-2H]-	235.014336	148.8
[M]+	214.03912142	148.0
[M]-	214.04021858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.