CID 119010295

2,6-dichloropyridine-3-thiol

Structural Information

Molecular Formula
C5H3Cl2NS
SMILES
C1=CC(=NC(=C1S)Cl)Cl
InChI
InChI=1S/C5H3Cl2NS/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
InChIKey
KXZAMUQWIVKQAN-UHFFFAOYSA-N
Compound name
2,6-dichloropyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.93633 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.94361 125.7
[M+Na]+ 201.92555 137.6
[M-H]- 177.92905 128.6
[M+NH4]+ 196.97015 146.8
[M+K]+ 217.89949 132.8
[M+H-H2O]+ 161.93359 122.0
[M+HCOO]- 223.93453 135.2
[M+CH3COO]- 237.95018 176.9
[M+Na-2H]- 199.91100 130.0
[M]+ 178.93578 130.0
[M]- 178.93688 130.0
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

patents stripe