CID 64589409

6-cyanopyridine-2-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₃ClN₂O₂S

SMILES

C1=CC(=NC(=C1)S(=O)(=O)Cl)C#N

InChI

InChI=1S/C6H3ClN2O2S/c7-12(10,11)6-3-1-2-5(4-8)9-6/h1-3H

InChIKey

MYMMVLIOCVILFV-UHFFFAOYSA-N

Compound name

6-cyanopyridine-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 201.96037 Da
Monoisotopic Mass: 1.3
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]+	202.96765	135.0
[M+Na]+	224.94959	147.6
[M+NH4]+	219.99419	139.6
[M+K]+	240.92353	137.6
[M-H]-	200.95309	128.5
[M+Na-2H]-	222.93504	139.1
[M]+	201.95982	134.8
[M]-	201.96092	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe