CID 2772263

1,1-dioxo-1lambda6-thiolane-3-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₇ClO₄S₂

SMILES

C1CS(=O)(=O)CC1S(=O)(=O)Cl

InChI

InChI=1S/C4H7ClO4S2/c5-11(8,9)4-1-2-10(6,7)3-4/h4H,1-3H2

InChIKey

AOAOPMCGCFWIHW-UHFFFAOYSA-N

Compound name

1,1-dioxothiolane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 217.94743 Da
Monoisotopic Mass: 0.0
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]+	218.95471	139.7
[M+Na]+	240.93665	150.2
[M-H]-	216.94015	143.9
[M+NH4]+	235.98125	163.1
[M+K]+	256.91059	146.4
[M+H-H2O]+	200.94469	137.9
[M+HCOO]-	262.94563	148.2
[M+CH3COO]-	276.96128	175.7
[M+Na-2H]-	238.92210	142.5
[M]+	217.94688	143.7
[M]-	217.94798	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe