CID 75480498

1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride

Structural Information

Molecular Formula
C12H13Cl2NO3S
SMILES
C1CC(CN(C1)C(=O)C2=CC(=CC=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C12H13Cl2NO3S/c13-10-4-1-3-9(7-10)12(16)15-6-2-5-11(8-15)19(14,17)18/h1,3-4,7,11H,2,5-6,8H2
InChIKey
VGGNXGNNQOMLAI-UHFFFAOYSA-N
Compound name
1-(3-chlorobenzoyl)piperidine-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00661 164.4
[M+Na]+ 343.98855 172.3
[M-H]- 319.99205 169.3
[M+NH4]+ 339.03315 179.1
[M+K]+ 359.96249 166.9
[M+H-H2O]+ 303.99659 159.0
[M+HCOO]- 365.99753 168.0
[M+CH3COO]- 380.01318 198.2
[M+Na-2H]- 341.97400 165.3
[M]+ 320.99878 166.3
[M]- 320.99988 166.3
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.