CID 57244474

4-methoxybutane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₁ClO₃S

SMILES

COCCCCS(=O)(=O)Cl

InChI

InChI=1S/C5H11ClO3S/c1-9-4-2-3-5-10(6,7)8/h2-5H2,1H3

InChIKey

FFNGZJPZIPGEAQ-UHFFFAOYSA-N

Compound name

4-methoxybutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 186.01175 Da
Monoisotopic Mass: 1.0
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]+	187.01903	137.6
[M+Na]+	209.00097	147.8
[M+NH4]+	204.04557	145.1
[M+K]+	224.97491	140.7
[M-H]-	185.00447	135.8
[M+Na-2H]-	206.98642	140.2
[M]+	186.01120	139.1
[M]-	186.01230	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe