CID 86247243

2-chloro-1-methanesulfonylpropane

Structural Information

Molecular Formula

C₄H₉ClO₂S

SMILES

CC(CS(=O)(=O)C)Cl

InChI

InChI=1S/C4H9ClO2S/c1-4(5)3-8(2,6)7/h4H,3H2,1-2H3

InChIKey

ORBQYRYNGVZSOV-UHFFFAOYSA-N

Compound name

2-chloro-1-methylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 156.00117 Da
Monoisotopic Mass: 0.6
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]+	157.008446	125.9
[M+Na]+	178.990388	135.2
[M-H]-	154.993894	127.2
[M+NH4]+	174.034993	148.5
[M+K]+	194.964328	132.9
[M+H-H2O]+	138.998430	123.1
[M+HCOO]-	200.999371	138.7
[M+CH3COO]-	215.015021	172.3
[M+Na-2H]-	176.975836	129.6
[M]+	156.00062142	130.5
[M]-	156.00171858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe