CID 31385

N,n-dibutyl-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C14H22ClNO2S
SMILES
CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H22ClNO2S/c1-3-5-11-16(12-6-4-2)19(17,18)14-9-7-13(15)8-10-14/h7-10H,3-6,11-12H2,1-2H3
InChIKey
CLVOYFRAZKMSPF-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-chlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2099
Patents

303.106 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.11328 168.8
[M+Na]+ 326.09522 175.7
[M-H]- 302.09872 173.5
[M+NH4]+ 321.13982 185.8
[M+K]+ 342.06916 171.2
[M+H-H2O]+ 286.10326 162.8
[M+HCOO]- 348.10420 182.6
[M+CH3COO]- 362.11985 206.0
[M+Na-2H]- 324.08067 170.5
[M]+ 303.10545 176.4
[M]- 303.10655 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.