CID 40023

2-chloroethyl tetradecanoate

Structural Information

Molecular Formula

C₁₆H₃₁ClO₂

SMILES

CCCCCCCCCCCCCC(=O)OCCCl

InChI

InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3

InChIKey

MPNMNLLETRXDEX-UHFFFAOYSA-N

Compound name

2-chloroethyl tetradecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 290.20126 Da
Monoisotopic Mass: 7.0
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]+	291.208536	175.4
[M+Na]+	313.190478	179.5
[M-H]-	289.193984	173.9
[M+NH4]+	308.235083	192.1
[M+K]+	329.164418	175.1
[M+H-H2O]+	273.198520	169.9
[M+HCOO]-	335.199461	191.2
[M+CH3COO]-	349.215111	204.2
[M+Na-2H]-	311.175926	175.5
[M]+	290.20071142	183.8
[M]-	290.20180858	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe