CID 55280651

2-oxooxolane-3-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₅ClO₄S

SMILES

C1COC(=O)C1S(=O)(=O)Cl

InChI

InChI=1S/C4H5ClO4S/c5-10(7,8)3-1-2-9-4(3)6/h3H,1-2H2

InChIKey

OCATZSWNQATOFC-UHFFFAOYSA-N

Compound name

2-oxooxolane-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.9597 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]+	184.96698	131.5
[M+Na]+	206.94892	141.6
[M-H]-	182.95242	136.6
[M+NH4]+	201.99352	153.3
[M+K]+	222.92286	140.3
[M+H-H2O]+	166.95696	128.7
[M+HCOO]-	228.95790	144.8
[M+CH3COO]-	242.97355	171.9
[M+Na-2H]-	204.93437	135.6
[M]+	183.95915	135.5
[M]-	183.96025	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.