CID 4729821

622797-98-2

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂S

SMILES

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

InChI

InChI=1S/C9H13ClN2O2S/c1-9(2,3)12-15(13,14)7-4-5-8(10)11-6-7/h4-6,12H,1-3H3

InChIKey

IMOXXBWDLRALIO-UHFFFAOYSA-N

Compound name

N-tert-butyl-6-chloropyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 248.03862 Da
Monoisotopic Mass: 1.8
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]+	249.045896	152.0
[M+Na]+	271.027838	161.3
[M-H]-	247.031344	155.0
[M+NH4]+	266.072443	169.4
[M+K]+	287.001778	157.0
[M+H-H2O]+	231.035880	146.7
[M+HCOO]-	293.036821	164.0
[M+CH3COO]-	307.052471	190.0
[M+Na-2H]-	269.013286	157.6
[M]+	248.03807142	156.2
[M]-	248.03916858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe