CID 2842964

329937-38-4

Structural Information

Molecular Formula
C12H16ClNO2S
SMILES
CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKey
BNGKTBVBWYCKAF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

273.05902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.066296 157.9
[M+Na]+ 296.048238 165.8
[M-H]- 272.051744 163.1
[M+NH4]+ 291.092843 174.3
[M+K]+ 312.022178 160.8
[M+H-H2O]+ 256.056280 151.7
[M+HCOO]- 318.057221 167.0
[M+CH3COO]- 332.072871 192.3
[M+Na-2H]- 294.033686 160.0
[M]+ 273.05847142 158.5
[M]- 273.05956858 158.5
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