CID 102608496

1600291-93-7

Structural Information

Molecular Formula

C₅H₉ClO₄S

SMILES

C1C(CO1)OCCS(=O)(=O)Cl

InChI

InChI=1S/C5H9ClO4S/c6-11(7,8)2-1-10-5-3-9-4-5/h5H,1-4H2

InChIKey

KNIGUSGQMKQBLZ-UHFFFAOYSA-N

Compound name

2-(oxetan-3-yloxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.99101 Da
Monoisotopic Mass: -0.1
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]+	200.998286	124.7
[M+Na]+	222.980228	131.1
[M-H]-	198.983734	128.9
[M+NH4]+	218.024833	137.3
[M+K]+	238.954168	133.3
[M+H-H2O]+	182.988270	115.4
[M+HCOO]-	244.989211	136.5
[M+CH3COO]-	259.004861	180.0
[M+Na-2H]-	220.965676	130.7
[M]+	199.99046142	139.1
[M]-	199.99155858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.