CID 22636775

338452-93-0

Structural Information

Molecular Formula

C₅H₁₁ClO₃S

SMILES

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

InChI

InChI=1S/C5H11ClO3S/c1-5(2,9-3)4-10(6,7)8/h4H2,1-3H3

InChIKey

LNWBEJREKUGKIY-UHFFFAOYSA-N

Compound name

2-methoxy-2-methylpropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 186.01175 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]+	187.019026	134.3
[M+Na]+	209.000968	143.6
[M-H]-	185.004474	135.6
[M+NH4]+	204.045573	155.7
[M+K]+	224.974908	141.5
[M+H-H2O]+	169.009010	131.5
[M+HCOO]-	231.009951	146.6
[M+CH3COO]-	245.025601	176.9
[M+Na-2H]-	206.986416	139.6
[M]+	186.01120142	140.8
[M]-	186.01229858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe