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

2394
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

literature stripe

Patent stripe

patents stripe