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]+ 219.94975 137.2
[M+Na]+ 241.93169 152.2
[M-H]- 217.93519 137.5
[M+NH4]+ 236.97629 156.6
[M+K]+ 257.90563 145.3
[M+H-H2O]+ 201.93973 132.3
[M+HCOO]- 263.94067 144.6
[M+CH3COO]- 277.95632 150.7
[M+Na-2H]- 239.91714 140.9
[M]+ 218.94192 141.8
[M]- 218.94302 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.