CID 18143

3,4-dichlorosulfolane

Structural Information

Molecular Formula

C₄H₆Cl₂O₂S

SMILES

C1C(C(CS1(=O)=O)Cl)Cl

InChI

InChI=1S/C4H6Cl2O2S/c5-3-1-9(7,8)2-4(3)6/h3-4H,1-2H2

InChIKey

JCUQWSIALJCIEE-UHFFFAOYSA-N

Compound name

3,4-dichlorothiolane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2045
Patents: 187.94655 Da
Monoisotopic Mass: 0.7
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]+	188.95383	130.0
[M+Na]+	210.93577	141.5
[M-H]-	186.93927	134.2
[M+NH4]+	205.98037	155.5
[M+K]+	226.90971	137.3
[M+H-H2O]+	170.94381	128.8
[M+HCOO]-	232.94475	139.8
[M+CH3COO]-	246.96040	174.0
[M+Na-2H]-	208.92122	132.2
[M]+	187.94600	133.1
[M]-	187.94710	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe