CID 12950505

24824-96-2

Structural Information

Molecular Formula

C₅H₁₁ClO₂S

SMILES

CC(C)(C)S(=O)(=O)CCl

InChI

InChI=1S/C5H11ClO2S/c1-5(2,3)9(7,8)4-6/h4H2,1-3H3

InChIKey

TUCJVIHBZWDFJZ-UHFFFAOYSA-N

Compound name

2-(chloromethylsulfonyl)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 170.01683 Da
Monoisotopic Mass: 1.3
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	131.3
[M+Na]+	193.00605	140.9
[M-H]-	169.00955	132.7
[M+NH4]+	188.05065	153.5
[M+K]+	208.97999	138.3
[M+H-H2O]+	153.01409	128.8
[M+HCOO]-	215.01503	143.4
[M+CH3COO]-	229.03068	174.2
[M+Na-2H]-	190.99150	136.4
[M]+	170.01628	136.3
[M]-	170.01738	136.3

Literature stripe

literature stripe

Patent stripe

patents stripe