CID 13729454

82097-01-6

Structural Information

Molecular Formula

C₈H₁₀ClNO₃S

SMILES

C1=CC=C(C(=C1)OCCCl)S(=O)(=O)N

InChI

InChI=1S/C8H10ClNO3S/c9-5-6-13-7-3-1-2-4-8(7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12)

InChIKey

WAJIUYJWAGLDAC-UHFFFAOYSA-N

Compound name

2-(2-chloroethoxy)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 51
Patents: 235.00699 Da
Monoisotopic Mass: 1.0
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]+	236.01427	145.6
[M+Na]+	257.99621	154.8
[M-H]-	233.99971	149.3
[M+NH4]+	253.04081	164.3
[M+K]+	273.97015	150.4
[M+H-H2O]+	218.00425	140.8
[M+HCOO]-	280.00519	160.4
[M+CH3COO]-	294.02084	186.1
[M+Na-2H]-	255.98166	150.0
[M]+	235.00644	150.1
[M]-	235.00754	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe