CID 75239

2-chloroethyl 2-phenoxyethyl ether

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂

SMILES

C1=CC=C(C=C1)OCCOCCCl

InChI

InChI=1S/C10H13ClO2/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

SZAPPHDTDAQSQV-UHFFFAOYSA-N

Compound name

2-(2-chloroethoxy)ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 200.06041 Da
Monoisotopic Mass: 2.3
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]+	201.067686	140.7
[M+Na]+	223.049628	148.5
[M-H]-	199.053134	143.8
[M+NH4]+	218.094233	160.8
[M+K]+	239.023568	145.3
[M+H-H2O]+	183.057670	135.4
[M+HCOO]-	245.058611	160.9
[M+CH3COO]-	259.074261	182.3
[M+Na-2H]-	221.035076	148.0
[M]+	200.05986142	145.8
[M]-	200.06095858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe