CID 11275445

1-phenylethane-1-sulfonamide

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

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

InChI

InChI=1S/C8H11NO2S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,9,10,11)

InChIKey

SPSQEKCXVRMSBW-UHFFFAOYSA-N

Compound name

1-phenylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 185.05106 Da
Monoisotopic Mass: 0.8
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]+	186.058336	137.0
[M+Na]+	208.040278	144.6
[M-H]-	184.043784	140.5
[M+NH4]+	203.084883	156.6
[M+K]+	224.014218	142.0
[M+H-H2O]+	168.048320	131.4
[M+HCOO]-	230.049261	155.1
[M+CH3COO]-	244.064911	179.8
[M+Na-2H]-	206.025726	141.2
[M]+	185.05051142	137.2
[M]-	185.05160858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe