CID 25220640

1142209-57-1

Structural Information

Molecular Formula
C13H16ClNO4S
SMILES
C1CN(CCC1CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNO4S/c14-11-1-3-12(4-2-11)20(18,19)15-7-5-10(6-8-15)9-13(16)17/h1-4,10H,5-9H2,(H,16,17)
InChIKey
UZDQUOZVACHLMK-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04886 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05614 167.5
[M+Na]+ 340.03808 178.5
[M+NH4]+ 335.08268 174.0
[M+K]+ 356.01202 171.6
[M-H]- 316.04158 168.4
[M+Na-2H]- 338.02353 172.3
[M]+ 317.04831 169.9
[M]- 317.04941 169.9
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.