CID 22678

2-cyclohexylethyl chloroacetate

Structural Information

Molecular Formula

C₁₀H₁₇ClO₂

SMILES

C1CCC(CC1)CCOC(=O)CCl

InChI

InChI=1S/C10H17ClO2/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9H,1-8H2

InChIKey

DRXWZLAIMHQOGA-UHFFFAOYSA-N

Compound name

2-cyclohexylethyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.0917 Da
Monoisotopic Mass: 3.8
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]+	205.098976	145.8
[M+Na]+	227.080918	150.5
[M-H]-	203.084424	148.0
[M+NH4]+	222.125523	165.3
[M+K]+	243.054858	147.8
[M+H-H2O]+	187.088960	140.7
[M+HCOO]-	249.089901	160.8
[M+CH3COO]-	263.105551	182.6
[M+Na-2H]-	225.066366	148.7
[M]+	204.09115142	145.2
[M]-	204.09224858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe