CID 314059

2512-24-5

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)11-14(12,13)9-7-5-4-6-8-9/h4-8,11H,1-3H3

InChIKey

FFUBXANSXRGVKW-UHFFFAOYSA-N

Compound name

N-tert-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 587
Patents: 213.08235 Da
Monoisotopic Mass: 1.9
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]+	214.089626	146.0
[M+Na]+	236.071568	153.5
[M-H]-	212.075074	149.9
[M+NH4]+	231.116173	165.0
[M+K]+	252.045508	150.8
[M+H-H2O]+	196.079610	140.4
[M+HCOO]-	258.080551	163.6
[M+CH3COO]-	272.096201	185.4
[M+Na-2H]-	234.057016	152.3
[M]+	213.08180142	148.0
[M]-	213.08289858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe