CID 710424

4-chloro-n-cycloheptylbenzenesulfonamide

Structural Information

Molecular Formula
C13H18ClNO2S
SMILES
C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClNO2S/c14-11-7-9-13(10-8-11)18(16,17)15-12-5-3-1-2-4-6-12/h7-10,12,15H,1-6H2
InChIKey
KWICOIRIXARTAX-UHFFFAOYSA-N
Compound name
4-chloro-N-cycloheptylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

287.07468 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.081956 163.1
[M+Na]+ 310.063898 167.1
[M-H]- 286.067404 169.5
[M+NH4]+ 305.108503 178.2
[M+K]+ 326.037838 167.2
[M+H-H2O]+ 270.071940 157.1
[M+HCOO]- 332.072881 173.7
[M+CH3COO]- 346.088531 197.3
[M+Na-2H]- 308.049346 165.1
[M]+ 287.07413142 159.0
[M]- 287.07522858 159.0
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

No patent data available for this compound.