CID 39236339

2-(2-chloroethanesulfonyl)propane

Structural Information

Molecular Formula

C₅H₁₁ClO₂S

SMILES

CC(C)S(=O)(=O)CCCl

InChI

InChI=1S/C5H11ClO2S/c1-5(2)9(7,8)4-3-6/h5H,3-4H2,1-2H3

InChIKey

JAXQJRUMIQDPCP-UHFFFAOYSA-N

Compound name

2-(2-chloroethylsulfonyl)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 170.01683 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]+	171.02411	130.5
[M+Na]+	193.00605	139.4
[M-H]-	169.00955	131.6
[M+NH4]+	188.05065	152.5
[M+K]+	208.97999	136.8
[M+H-H2O]+	153.01409	127.5
[M+HCOO]-	215.01503	143.0
[M+CH3COO]-	229.03068	175.3
[M+Na-2H]-	190.99150	133.7
[M]+	170.01628	135.5
[M]-	170.01738	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe