CID 108995

2-ethoxyethyl 2-chloroacetate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CCOCCOC(=O)CCl

InChI

InChI=1S/C6H11ClO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3

InChIKey

KPAIAQWSRMSXDB-UHFFFAOYSA-N

Compound name

2-ethoxyethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 166.03967 Da
Monoisotopic Mass: 1.0
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]+	167.046946	131.4
[M+Na]+	189.028888	139.5
[M-H]-	165.032394	131.7
[M+NH4]+	184.073493	153.0
[M+K]+	205.002828	138.4
[M+H-H2O]+	149.036930	127.8
[M+HCOO]-	211.037871	150.7
[M+CH3COO]-	225.053521	176.3
[M+Na-2H]-	187.014336	137.0
[M]+	166.03912142	137.5
[M]-	166.04021858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe