CID 130958726

1804414-12-7

Structural Information

Molecular Formula
C5H3Cl2NS
SMILES
C1=C(NC=C(C1=S)Cl)Cl
InChI
InChI=1S/C5H3Cl2NS/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
InChIKey
DPDSXURQWYPVIV-UHFFFAOYSA-N
Compound name
2,5-dichloro-1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.93633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.94361 125.8
[M+Na]+ 201.92555 137.6
[M-H]- 177.92905 127.3
[M+NH4]+ 196.97015 146.2
[M+K]+ 217.89949 131.2
[M+H-H2O]+ 161.93359 122.6
[M+HCOO]- 223.93453 134.0
[M+CH3COO]- 237.95018 139.5
[M+Na-2H]- 199.91100 129.6
[M]+ 178.93578 127.5
[M]- 178.93688 127.5
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.