CID 50987777

1258650-42-8

Structural Information

Molecular Formula
C13H18ClNO4S2
SMILES
CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C13H18ClNO4S2/c1-10-7-11(2)9-15(8-10)21(18,19)13-5-3-12(4-6-13)20(14,16)17/h3-6,10-11H,7-9H2,1-2H3
InChIKey
NPLZZEGSEGSKMF-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0366 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.04388 174.6
[M+Na]+ 374.02582 182.6
[M-H]- 350.02932 179.7
[M+NH4]+ 369.07042 187.9
[M+K]+ 389.99976 176.7
[M+H-H2O]+ 334.03386 169.0
[M+HCOO]- 396.03480 177.3
[M+CH3COO]- 410.05045 204.1
[M+Na-2H]- 372.01127 175.8
[M]+ 351.03605 177.6
[M]- 351.03715 177.6
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

No patent data available for this compound.