CID 20815681

1187437-00-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

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

InChI

InChI=1S/C10H15NO2S/c1-10(2,3)8-5-4-6-9(7-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

InChIKey

JACGHULSRUWRBD-UHFFFAOYSA-N

Compound name

3-tert-butylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 213.08235 Da
Monoisotopic Mass: 2.2
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	145.8
[M+Na]+	236.071568	154.1
[M-H]-	212.075074	149.5
[M+NH4]+	231.116173	164.8
[M+K]+	252.045508	151.1
[M+H-H2O]+	196.079610	140.5
[M+HCOO]-	258.080551	162.7
[M+CH3COO]-	272.096201	185.9
[M+Na-2H]-	234.057016	150.4
[M]+	213.08180142	147.1
[M]-	213.08289858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe