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	146.2
[M+Na]+	237.03227	155.6
[M+NH4]+	232.07687	153.3
[M+K]+	253.00621	148.9
[M-H]-	213.03577	144.1
[M+Na-2H]-	235.01772	148.0
[M]+	214.04250	147.5
[M]-	214.04360	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.