CID 85380

N-octylbenzenesulfonamide

Structural Information

Molecular Formula
C14H23NO2S
SMILES
CCCCCCCCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H23NO2S/c1-2-3-4-5-6-10-13-15-18(16,17)14-11-8-7-9-12-14/h7-9,11-12,15H,2-6,10,13H2,1H3
InChIKey
ONGMSIYISVEKDB-UHFFFAOYSA-N
Compound name
N-octylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

269.14496 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.152236 163.1
[M+Na]+ 292.134178 168.4
[M-H]- 268.137684 165.9
[M+NH4]+ 287.178783 179.7
[M+K]+ 308.108118 164.2
[M+H-H2O]+ 252.142220 156.1
[M+HCOO]- 314.143161 180.9
[M+CH3COO]- 328.158811 197.8
[M+Na-2H]- 290.119626 166.5
[M]+ 269.14441142 167.1
[M]- 269.14550858 167.1
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

patents stripe