CID 10964894

Ethyl 2-(2-chloroethoxy)acetate

Structural Information

Molecular Formula

C₆H₁₁ClO₃

SMILES

CCOC(=O)COCCCl

InChI

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

InChIKey

CVYKQPLWSDHSSV-UHFFFAOYSA-N

Compound name

ethyl 2-(2-chloroethoxy)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
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]+	167.04695	131.4
[M+Na]+	189.02889	139.5
[M-H]-	165.03239	131.7
[M+NH4]+	184.07349	153.0
[M+K]+	205.00283	138.4
[M+H-H2O]+	149.03693	127.8
[M+HCOO]-	211.03787	150.7
[M+CH3COO]-	225.05352	176.3
[M+Na-2H]-	187.01434	137.0
[M]+	166.03912	137.5
[M]-	166.04022	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe