CID 104269

2-(2-hydroxyethoxy)ethyl chloroacetate

Structural Information

Molecular Formula

C₆H₁₁ClO₄

SMILES

C(COCCOC(=O)CCl)O

InChI

InChI=1S/C6H11ClO4/c7-5-6(9)11-4-3-10-2-1-8/h8H,1-5H2

InChIKey

CAWRWIWCXWVNCB-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 182.03459 Da
Monoisotopic Mass: -0.1
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]+	183.04187	134.3
[M+Na]+	205.02381	142.0
[M-H]-	181.02731	133.2
[M+NH4]+	200.06841	154.5
[M+K]+	220.99775	140.4
[M+H-H2O]+	165.03185	130.7
[M+HCOO]-	227.03279	152.4
[M+CH3COO]-	241.04844	175.6
[M+Na-2H]-	203.00926	139.4
[M]+	182.03404	139.9
[M]-	182.03514	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe