CID 57488627

2,3,5,6-tetrachloro-4-(methylsulfinyl) pyridine

Structural Information

Molecular Formula

C₆H₃Cl₄NOS

SMILES

CS(=O)C1=C(C(=NC(=C1Cl)Cl)Cl)Cl

InChI

InChI=1S/C6H3Cl4NOS/c1-13(12)4-2(7)5(9)11-6(10)3(4)8/h1H3

InChIKey

LLIGYFMMLRXXKF-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrachloro-4-methylsulfinylpyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 276.86896 Da
Monoisotopic Mass: 3.2
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]+	277.87624	143.5
[M+Na]+	299.85818	155.0
[M-H]-	275.86168	144.2
[M+NH4]+	294.90278	160.3
[M+K]+	315.83212	149.8
[M+H-H2O]+	259.86622	141.3
[M+HCOO]-	321.86716	141.2
[M+CH3COO]-	335.88281	195.4
[M+Na-2H]-	297.84363	142.8
[M]+	276.86841	147.5
[M]-	276.86951	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe