CID 65445633

2-(2,3-dihydro-1-benzofuran-5-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

C1COC2=C1C=C(C=C2)CCS(=O)(=O)N

InChI

InChI=1S/C10H13NO3S/c11-15(12,13)6-4-8-1-2-10-9(7-8)3-5-14-10/h1-2,7H,3-6H2,(H2,11,12,13)

InChIKey

UTDLQOSVRLWDPD-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1-benzofuran-5-yl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.06161 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]+	228.068886	146.9
[M+Na]+	250.050828	155.4
[M-H]-	226.054334	151.8
[M+NH4]+	245.095433	166.8
[M+K]+	266.024768	153.4
[M+H-H2O]+	210.058870	142.2
[M+HCOO]-	272.059811	164.3
[M+CH3COO]-	286.075461	186.1
[M+Na-2H]-	248.036276	152.1
[M]+	227.06106142	149.4
[M]-	227.06215858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.