CID 64198863

4-ethoxybutane-1-sulfonylchloride

Structural Information

Molecular Formula

C₆H₁₃ClO₃S

SMILES

CCOCCCCS(=O)(=O)Cl

InChI

InChI=1S/C6H13ClO3S/c1-2-10-5-3-4-6-11(7,8)9/h2-6H2,1H3

InChIKey

YJXOAPODBGMUGS-UHFFFAOYSA-N

Compound name

4-ethoxybutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.02739 Da
Monoisotopic Mass: 1.3
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]+	201.03467	138.6
[M+Na]+	223.01661	147.2
[M-H]-	199.02011	139.4
[M+NH4]+	218.06121	159.4
[M+K]+	238.99055	144.4
[M+H-H2O]+	183.02465	135.1
[M+HCOO]-	245.02559	152.0
[M+CH3COO]-	259.04124	179.5
[M+Na-2H]-	221.00206	142.5
[M]+	200.02684	146.0
[M]-	200.02794	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.