CID 5016598

4-chloro-3-(piperidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C11H15ClN2O2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C11H15ClN2O2S/c12-10-5-4-9(13)8-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKey
DJKWMDKTRGWWHI-UHFFFAOYSA-N
Compound name
4-chloro-3-piperidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06158 158.0
[M+Na]+ 297.04352 169.6
[M+NH4]+ 292.08812 166.0
[M+K]+ 313.01746 161.7
[M-H]- 273.04702 160.9
[M+Na-2H]- 295.02897 164.3
[M]+ 274.05375 161.1
[M]- 274.05485 161.1
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.