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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.061576	158.2
[M+Na]+	297.043518	165.6
[M-H]-	273.047024	162.8
[M+NH4]+	292.088123	173.8
[M+K]+	313.017458	160.2
[M+H-H2O]+	257.051560	151.8
[M+HCOO]-	319.052501	167.8
[M+CH3COO]-	333.068151	193.6
[M+Na-2H]-	295.028966	160.4
[M]+	274.05375142	156.7
[M]-	274.05484858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe