CID 84705915

1781507-54-7

Structural Information

Molecular Formula

C₆H₁₁ClO₄S₂

SMILES

C1CC(CS(=O)(=O)C1)CS(=O)(=O)Cl

InChI

InChI=1S/C6H11ClO4S2/c7-13(10,11)5-6-2-1-3-12(8,9)4-6/h6H,1-5H2

InChIKey

RXCXKYPIMGONDW-UHFFFAOYSA-N

Compound name

(1,1-dioxothian-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 245.97873 Da
Monoisotopic Mass: 0.5
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]+	246.986006	144.6
[M+Na]+	268.967948	152.7
[M-H]-	244.971454	147.9
[M+NH4]+	264.012553	164.9
[M+K]+	284.941888	148.5
[M+H-H2O]+	228.975990	141.9
[M+HCOO]-	290.976931	150.3
[M+CH3COO]-	304.992581	181.9
[M+Na-2H]-	266.953396	148.0
[M]+	245.97818142	147.0
[M]-	245.97927858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe