CID 64200908

2-(benzyloxy)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

C1=CC=C(C=C1)COCCS(=O)(=O)N

InChI

InChI=1S/C9H13NO3S/c10-14(11,12)7-6-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,10,11,12)

InChIKey

AOIMAIXMTSFCNO-UHFFFAOYSA-N

Compound name

2-phenylmethoxyethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 215.06161 Da
Monoisotopic Mass: 0.3
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]+	216.068886	144.7
[M+Na]+	238.050828	152.0
[M-H]-	214.054334	147.8
[M+NH4]+	233.095433	163.0
[M+K]+	254.024768	149.1
[M+H-H2O]+	198.058870	138.5
[M+HCOO]-	260.059811	163.8
[M+CH3COO]-	274.075461	184.1
[M+Na-2H]-	236.036276	149.6
[M]+	215.06106142	147.2
[M]-	215.06215858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe