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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.