CID 11746019

98231-71-1

Structural Information

Molecular Formula

C₆H₁₄ClNO₃S

SMILES

C(COCCS(=O)(=O)CCCl)N

InChI

InChI=1S/C6H14ClNO3S/c7-1-5-12(9,10)6-4-11-3-2-8/h1-6,8H2

InChIKey

LQCJAHQKDXSNOA-UHFFFAOYSA-N

Compound name

2-[2-(2-chloroethylsulfonyl)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 215.0383 Da
Monoisotopic Mass: -0.9
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]+	216.04558	143.2
[M+Na]+	238.02752	150.7
[M-H]-	214.03102	143.1
[M+NH4]+	233.07212	162.6
[M+K]+	254.00146	147.2
[M+H-H2O]+	198.03556	139.1
[M+HCOO]-	260.03650	156.8
[M+CH3COO]-	274.05215	183.6
[M+Na-2H]-	236.01297	146.3
[M]+	215.03775	148.6
[M]-	215.03885	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe