CID 22637030

338453-21-7

Structural Information

Molecular Formula

C₅H₉ClO₃S

SMILES

C1COCCC1S(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO3S/c6-10(7,8)5-1-3-9-4-2-5/h5H,1-4H2

InChIKey

QQSBPTQNEOJFBO-UHFFFAOYSA-N

Compound name

oxane-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 386
Patents: 183.9961 Da
Monoisotopic Mass: 0.8
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]+	185.00338	131.9
[M+Na]+	206.98532	139.5
[M-H]-	182.98882	136.2
[M+NH4]+	202.02992	151.6
[M+K]+	222.95926	138.1
[M+H-H2O]+	166.99336	128.2
[M+HCOO]-	228.99430	142.4
[M+CH3COO]-	243.00995	172.8
[M+Na-2H]-	204.97077	137.3
[M]+	183.99555	133.1
[M]-	183.99665	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe