CID 116684811

1602988-63-5

Structural Information

Molecular Formula

C₉H₁₁ClO₄S

SMILES

COCCOC1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H11ClO4S/c1-13-5-6-14-8-3-2-4-9(7-8)15(10,11)12/h2-4,7H,5-6H2,1H3

InChIKey

VEDGUZUQXIZCDH-UHFFFAOYSA-N

Compound name

3-(2-methoxyethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.00665 Da
Monoisotopic Mass: 1.5
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]+	251.01393	148.1
[M+Na]+	272.99587	157.7
[M-H]-	248.99937	152.5
[M+NH4]+	268.04047	166.9
[M+K]+	288.96981	154.3
[M+H-H2O]+	233.00391	143.5
[M+HCOO]-	295.00485	162.7
[M+CH3COO]-	309.02050	186.9
[M+Na-2H]-	270.98132	152.9
[M]+	250.00610	156.3
[M]-	250.00720	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe