CID 61483450

1250515-89-9

Structural Information

Molecular Formula

C₇H₁₅ClO₃S

SMILES

CC(C)CCOCCS(=O)(=O)Cl

InChI

InChI=1S/C7H15ClO3S/c1-7(2)3-4-11-5-6-12(8,9)10/h7H,3-6H2,1-2H3

InChIKey

XFGNHHAJIWAOAD-UHFFFAOYSA-N

Compound name

2-(3-methylbutoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.04305 Da
Monoisotopic Mass: 1.9
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]+	215.05033	142.7
[M+Na]+	237.03227	150.6
[M-H]-	213.03577	143.4
[M+NH4]+	232.07687	162.9
[M+K]+	253.00621	148.0
[M+H-H2O]+	197.04031	139.1
[M+HCOO]-	259.04125	154.8
[M+CH3COO]-	273.05690	183.2
[M+Na-2H]-	235.01772	145.1
[M]+	214.04250	149.9
[M]-	214.04360	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.