CID 2054776

4-butylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)

InChIKey

IWEMSJAOIKQBBZ-UHFFFAOYSA-N

Compound name

4-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 207
Patents: 213.08235 Da
Monoisotopic Mass: 2.5
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]+	214.08963	146.8
[M+Na]+	236.07157	157.5
[M+NH4]+	231.11617	154.6
[M+K]+	252.04551	150.0
[M-H]-	212.07507	148.3
[M+Na-2H]-	234.05702	152.2
[M]+	213.08180	149.1
[M]-	213.08290	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe