CID 43342482

1152-74-5

Structural Information

Molecular Formula

C₁₄H₂₃NO₃S

SMILES

CCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C14H23NO3S/c1-2-3-4-5-6-7-12-18-13-8-10-14(11-9-13)19(15,16)17/h8-11H,2-7,12H2,1H3,(H2,15,16,17)

InChIKey

HJGGSWNOTGUVLF-UHFFFAOYSA-N

Compound name

4-octoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.13986 Da
Monoisotopic Mass: 4.0
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]+	286.14714	166.4
[M+Na]+	308.12908	172.3
[M-H]-	284.13258	168.9
[M+NH4]+	303.17368	182.2
[M+K]+	324.10302	168.3
[M+H-H2O]+	268.13712	159.4
[M+HCOO]-	330.13806	183.8
[M+CH3COO]-	344.15371	200.4
[M+Na-2H]-	306.11453	168.3
[M]+	285.13931	171.1
[M]-	285.14041	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe