CID 3034212

2,3,5,6-tetrachloropyridine-4-thiol

Structural Information

Molecular Formula
C5HCl4NS
SMILES
C1(=C(NC(=C(C1=S)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)
InChIKey
LVUQDNJRAHUUSB-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

631
Patents

246.85838 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.86566 138.2
[M+Na]+ 269.84760 150.0
[M-H]- 245.85110 137.5
[M+NH4]+ 264.89220 155.5
[M+K]+ 285.82154 143.3
[M+H-H2O]+ 229.85564 136.5
[M+HCOO]- 291.85658 135.4
[M+CH3COO]- 305.87223 149.4
[M+Na-2H]- 267.83305 138.2
[M]+ 246.85783 139.1
[M]- 246.85893 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe