CID 2060957

2-chloroethyl octyl sulfone

Structural Information

Molecular Formula

C₁₀H₂₁ClO₂S

SMILES

CCCCCCCCS(=O)(=O)CCCl

InChI

InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-9-14(12,13)10-8-11/h2-10H2,1H3

InChIKey

FROTZJPMAKCYCF-UHFFFAOYSA-N

Compound name

1-(2-chloroethylsulfonyl)octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.09508 Da
Monoisotopic Mass: 3.6
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]+	241.10236	153.6
[M+Na]+	263.08430	160.6
[M-H]-	239.08780	153.7
[M+NH4]+	258.12890	172.9
[M+K]+	279.05824	156.3
[M+H-H2O]+	223.09234	149.5
[M+HCOO]-	285.09328	165.5
[M+CH3COO]-	299.10893	189.5
[M+Na-2H]-	261.06975	155.4
[M]+	240.09453	161.1
[M]-	240.09563	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe