CID 115635322

1593953-51-5

Structural Information

Molecular Formula

C₃H₇ClO₂S₂

SMILES

CSCCS(=O)(=O)Cl

InChI

InChI=1S/C3H7ClO2S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3

InChIKey

CPNQCAVPZBKZLJ-UHFFFAOYSA-N

Compound name

2-methylsulfanylethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.9576 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]+	174.96488	129.1
[M+Na]+	196.94682	138.5
[M-H]-	172.95032	130.1
[M+NH4]+	191.99142	150.8
[M+K]+	212.92076	134.5
[M+H-H2O]+	156.95486	125.9
[M+HCOO]-	218.95580	137.3
[M+CH3COO]-	232.97145	173.6
[M+Na-2H]-	194.93227	131.6
[M]+	173.95705	134.2
[M]-	173.95815	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.