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 158.2
[M+Na]+ 297.04352 165.6
[M-H]- 273.04702 162.8
[M+NH4]+ 292.08812 173.8
[M+K]+ 313.01746 160.2
[M+H-H2O]+ 257.05156 151.8
[M+HCOO]- 319.05250 167.8
[M+CH3COO]- 333.06815 193.6
[M+Na-2H]- 295.02897 160.4
[M]+ 274.05375 156.7
[M]- 274.05485 156.7
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

patents stripe