CID 2388916

6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridine-3-thiol

Structural Information

Molecular Formula
C6H3Cl2N3S
SMILES
C1=C(C2=NNC(=S)N2C=C1Cl)Cl
InChI
InChI=1S/C6H3Cl2N3S/c7-3-1-4(8)5-9-10-6(12)11(5)2-3/h1-2H,(H,10,12)
InChIKey
JDSFMQYOLKDWJO-UHFFFAOYSA-N
Compound name
6,8-dichloro-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.94247 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.949746 137.2
[M+Na]+ 241.931688 152.2
[M-H]- 217.935194 137.5
[M+NH4]+ 236.976293 156.6
[M+K]+ 257.905628 145.3
[M+H-H2O]+ 201.939730 132.3
[M+HCOO]- 263.940671 144.6
[M+CH3COO]- 277.956321 150.7
[M+Na-2H]- 239.917136 140.9
[M]+ 218.94192142 141.8
[M]- 218.94301858 141.8
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.