CID 822465

622803-44-5

Structural Information

Molecular Formula

C₁₀H₉ClN₂O₃S

SMILES

C1=COC(=C1)CNS(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C10H9ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2

InChIKey

DDCCIGORNPGVJG-UHFFFAOYSA-N

Compound name

6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 272.00223 Da
Monoisotopic Mass: 1.4
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]+	273.009506	156.4
[M+Na]+	294.991448	166.6
[M-H]-	270.994954	163.5
[M+NH4]+	290.036053	173.0
[M+K]+	310.965388	162.9
[M+H-H2O]+	254.999490	150.4
[M+HCOO]-	317.000431	171.6
[M+CH3COO]-	331.016081	191.1
[M+Na-2H]-	292.976896	161.7
[M]+	272.00168142	162.1
[M]-	272.00277858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.