CID 10966194

2,3-dichloro-5-(methylsulfonyl)pyridine

Structural Information

Molecular Formula

C₆H₅Cl₂NO₂S

SMILES

CS(=O)(=O)C1=CC(=C(N=C1)Cl)Cl

InChI

InChI=1S/C6H5Cl2NO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3

InChIKey

CKEHZBXHXCACMG-UHFFFAOYSA-N

Compound name

2,3-dichloro-5-methylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 224.9418 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]+	225.94908	137.4
[M+Na]+	247.93102	149.5
[M-H]-	223.93452	140.6
[M+NH4]+	242.97562	156.6
[M+K]+	263.90496	144.5
[M+H-H2O]+	207.93906	133.7
[M+HCOO]-	269.94000	145.9
[M+CH3COO]-	283.95565	182.4
[M+Na-2H]-	245.91647	141.9
[M]+	224.94125	143.0
[M]-	224.94235	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe