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]+ 288.08196 163.1
[M+Na]+ 310.06390 167.1
[M-H]- 286.06740 169.5
[M+NH4]+ 305.10850 178.2
[M+K]+ 326.03784 167.2
[M+H-H2O]+ 270.07194 157.1
[M+HCOO]- 332.07288 173.7
[M+CH3COO]- 346.08853 197.3
[M+Na-2H]- 308.04935 165.1
[M]+ 287.07413 159.0
[M]- 287.07523 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.