CID 22636887

Oxolan-2-ylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClO₃S

SMILES

C1CC(OC1)CS(=O)(=O)Cl

InChI

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

InChIKey

OTZGHNVMPIKAEL-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
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	134.9
[M+Na]+	206.98532	143.6
[M-H]-	182.98882	139.5
[M+NH4]+	202.02992	156.6
[M+K]+	222.95926	142.2
[M+H-H2O]+	166.99336	131.7
[M+HCOO]-	228.99430	147.5
[M+CH3COO]-	243.00995	172.5
[M+Na-2H]-	204.97077	138.8
[M]+	183.99555	138.1
[M]-	183.99665	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe