CID 50989327

3-methanesulfonylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₉ClO₄S₂

SMILES

CS(=O)(=O)CCCS(=O)(=O)Cl

InChI

InChI=1S/C4H9ClO4S2/c1-10(6,7)3-2-4-11(5,8)9/h2-4H2,1H3

InChIKey

RHDSTZIBQYMBDV-UHFFFAOYSA-N

Compound name

3-methylsulfonylpropane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 219.96307 Da
Monoisotopic Mass: 0.1
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]+	220.97035	140.6
[M+Na]+	242.95229	149.8
[M-H]-	218.95579	141.5
[M+NH4]+	237.99689	160.1
[M+K]+	258.92623	145.6
[M+H-H2O]+	202.96033	137.3
[M+HCOO]-	264.96127	147.9
[M+CH3COO]-	278.97692	179.1
[M+Na-2H]-	240.93774	144.0
[M]+	219.96252	146.9
[M]-	219.96362	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe