CID 13875043

1-chloro-4-methanesulfonylbutane

Structural Information

Molecular Formula

C₅H₁₁ClO₂S

SMILES

CS(=O)(=O)CCCCCl

InChI

InChI=1S/C5H11ClO2S/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3

InChIKey

ISOQQDOAZADWAC-UHFFFAOYSA-N

Compound name

1-chloro-4-methylsulfonylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 170.01683 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]+	171.02411	134.9
[M+Na]+	193.00605	145.5
[M+NH4]+	188.05065	143.0
[M+K]+	208.97999	137.9
[M-H]-	169.00955	133.6
[M+Na-2H]-	190.99150	137.9
[M]+	170.01628	136.6
[M]-	170.01738	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe