CID 2433226

54864-87-8

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂S

SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C9H13ClN2O2S/c1-3-12(4-2)15(13,14)8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3

InChIKey

OHBWIMRJRWBVEZ-UHFFFAOYSA-N

Compound name

6-chloro-N,N-diethylpyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 15
Patents: 248.03862 Da
Monoisotopic Mass: 1.7
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]+	249.04590	152.9
[M+Na]+	271.02784	164.8
[M+NH4]+	266.07244	160.6
[M+K]+	287.00178	157.2
[M-H]-	247.03134	154.1
[M+Na-2H]-	269.01329	158.8
[M]+	248.03807	155.6
[M]-	248.03917	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe