CID 58579707

1322752-29-3

Structural Information

Molecular Formula
C6H3ClN2S2
SMILES
C1=C2C(=CN=C1Cl)NC(=S)S2
InChI
InChI=1S/C6H3ClN2S2/c7-5-1-4-3(2-8-5)9-6(10)11-4/h1-2H,(H,9,10)
InChIKey
IYZZEZJBZYCWRG-UHFFFAOYSA-N
Compound name
6-chloro-3H-[1,3]thiazolo[4,5-c]pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

201.94261 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.949886 132.1
[M+Na]+ 224.931828 146.6
[M-H]- 200.935334 134.3
[M+NH4]+ 219.976433 153.4
[M+K]+ 240.905768 139.7
[M+H-H2O]+ 184.939870 128.4
[M+HCOO]- 246.940811 140.7
[M+CH3COO]- 260.956461 146.2
[M+Na-2H]- 222.917276 135.3
[M]+ 201.94206142 136.4
[M]- 201.94315858 136.4
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