CID 228182

6316-04-7

Structural Information

Molecular Formula

C₁₄H₂₇ClO₂

SMILES

CCCCCCCCCCCCOC(=O)CCl

InChI

InChI=1S/C14H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3

InChIKey

JPPYCWJDINILKY-UHFFFAOYSA-N

Compound name

dodecyl 2-chloroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 141
Patents: 262.16995 Da
Monoisotopic Mass: 6.2
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]+	263.17723	166.2
[M+Na]+	285.15917	171.1
[M-H]-	261.16267	165.1
[M+NH4]+	280.20377	184.1
[M+K]+	301.13311	167.3
[M+H-H2O]+	245.16721	161.1
[M+HCOO]-	307.16815	182.7
[M+CH3COO]-	321.18380	198.3
[M+Na-2H]-	283.14462	167.4
[M]+	262.16940	173.9
[M]-	262.17050	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe