CID 57625434

6-cyanopyridine-3-sulfonamide

Structural Information

Molecular Formula

C₆H₅N₃O₂S

SMILES

C1=CC(=NC=C1S(=O)(=O)N)C#N

InChI

InChI=1S/C6H5N3O2S/c7-3-5-1-2-6(4-9-5)12(8,10)11/h1-2,4H,(H2,8,10,11)

InChIKey

ZDFRONWVKDXVNE-UHFFFAOYSA-N

Compound name

6-cyanopyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 183.01025 Da
Monoisotopic Mass: -0.5
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]+	184.01753	135.3
[M+Na]+	205.99947	145.7
[M+NH4]+	201.04407	139.0
[M+K]+	221.97341	136.9
[M-H]-	182.00297	128.6
[M+Na-2H]-	203.98492	138.4
[M]+	183.00970	134.3
[M]-	183.01080	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe