CID 20120755

6-chloro-n-(3-methylbutyl)pyridine-3-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₅ClN₂O₂S

SMILES

CC(C)CCNS(=O)(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H15ClN2O2S/c1-8(2)5-6-13-16(14,15)9-3-4-10(11)12-7-9/h3-4,7-8,13H,5-6H2,1-2H3

InChIKey

IIRPHAKQDZKKFY-UHFFFAOYSA-N

Compound name

6-chloro-N-(3-methylbutyl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.0543 Da
Monoisotopic Mass: 2.5
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	154.8
[M+Na]+	285.043518	163.0
[M-H]-	261.047024	157.4
[M+NH4]+	280.088123	171.4
[M+K]+	301.017458	158.4
[M+H-H2O]+	245.051560	149.0
[M+HCOO]-	307.052501	167.1
[M+CH3COO]-	321.068151	194.1
[M+Na-2H]-	283.028966	158.1
[M]+	262.05375142	159.4
[M]-	262.05484858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.