CID 16774082

N-(3-amino-4-chlorophenyl)butane-1-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂S

SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C10H15ClN2O2S/c1-2-3-6-16(14,15)13-8-4-5-9(11)10(12)7-8/h4-5,7,13H,2-3,6,12H2,1H3

InChIKey

BULYOBGMMWENAN-UHFFFAOYSA-N

Compound name

N-(3-amino-4-chlorophenyl)butane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.0543 Da
Monoisotopic Mass: 2.1
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]+	263.061576	155.5
[M+Na]+	285.043518	163.8
[M-H]-	261.047024	159.0
[M+NH4]+	280.088123	173.0
[M+K]+	301.017458	158.4
[M+H-H2O]+	245.051560	150.2
[M+HCOO]-	307.052501	170.3
[M+CH3COO]-	321.068151	196.2
[M+Na-2H]-	283.028966	158.5
[M]+	262.05375142	158.8
[M]-	262.05484858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.