CID 21129171

3-ethoxybenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₁NO₃S

SMILES

CCOC1=CC(=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C8H11NO3S/c1-2-12-7-4-3-5-8(6-7)13(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)

InChIKey

QWHKCLLFOXVFRJ-UHFFFAOYSA-N

Compound name

3-ethoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 201.04596 Da
Monoisotopic Mass: 0.9
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]+	202.05324	141.3
[M+Na]+	224.03518	151.9
[M+NH4]+	219.07978	148.7
[M+K]+	240.00912	145.4
[M-H]-	200.03868	142.3
[M+Na-2H]-	222.02063	146.6
[M]+	201.04541	143.4
[M]-	201.04651	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe