CID 52983809

2-(2-methoxyethoxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₁₁ClO₄S

SMILES

COCCOCCS(=O)(=O)Cl

InChI

InChI=1S/C5H11ClO4S/c1-9-2-3-10-4-5-11(6,7)8/h2-5H2,1H3

InChIKey

KOZZDLZQMLPWDR-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 202.00665 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]+	203.01393	136.8
[M+Na]+	224.99587	145.6
[M-H]-	200.99937	137.7
[M+NH4]+	220.04047	157.4
[M+K]+	240.96981	143.6
[M+H-H2O]+	185.00391	133.3
[M+HCOO]-	247.00485	150.8
[M+CH3COO]-	261.02050	178.5
[M+Na-2H]-	222.98132	141.4
[M]+	202.00610	145.3
[M]-	202.00720	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe