CID 55280261

1,3-dichloropropane-2-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₅Cl₃O₂S

SMILES

C(C(CCl)S(=O)(=O)Cl)Cl

InChI

InChI=1S/C3H5Cl3O2S/c4-1-3(2-5)9(6,7)8/h3H,1-2H2

InChIKey

DGLQTOLSPYYWES-UHFFFAOYSA-N

Compound name

1,3-dichloropropane-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.90758 Da
Monoisotopic Mass: 1.6
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]+	210.91486	132.7
[M+Na]+	232.89680	142.1
[M-H]-	208.90030	132.8
[M+NH4]+	227.94140	153.1
[M+K]+	248.87074	137.7
[M+H-H2O]+	192.90484	131.7
[M+HCOO]-	254.90578	135.6
[M+CH3COO]-	268.92143	180.0
[M+Na-2H]-	230.88225	135.2
[M]+	209.90703	137.1
[M]-	209.90813	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe