CID 222872

4-tert-butylbenzenesulfonamide

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H15NO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H2,11,12,13)
InChIKey
KYDZEZNYRFJCSA-UHFFFAOYSA-N
Compound name
4-tert-butylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

791
Patents

213.08235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 145.8
[M+Na]+ 236.07157 154.1
[M-H]- 212.07507 149.5
[M+NH4]+ 231.11617 164.8
[M+K]+ 252.04551 151.1
[M+H-H2O]+ 196.07961 140.5
[M+HCOO]- 258.08055 162.7
[M+CH3COO]- 272.09620 185.9
[M+Na-2H]- 234.05702 150.4
[M]+ 213.08180 147.1
[M]- 213.08290 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe