CID 2453596

571917-27-6

Structural Information

Molecular Formula
C7H3ClF3N3S
SMILES
C1=C(C2=NNC(=S)N2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C7H3ClF3N3S/c8-4-1-3(7(9,10)11)2-14-5(4)12-13-6(14)15/h1-2H,(H,13,15)
InChIKey
OFZTXHRIINHBNB-UHFFFAOYSA-N
Compound name
8-chloro-6-(trifluoromethyl)-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

252.96883 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.97611 147.1
[M+Na]+ 275.95805 157.8
[M+NH4]+ 271.00265 152.7
[M+K]+ 291.93199 152.4
[M-H]- 251.96155 142.7
[M+Na-2H]- 273.94350 150.3
[M]+ 252.96828 147.7
[M]- 252.96938 147.7
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.