CID 6878341

5-(2-chlorophenyl)-4-((4-fluorobenzylidene)amino)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C15H10ClFN4S
SMILES
C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C15H10ClFN4S/c16-13-4-2-1-3-12(13)14-19-20-15(22)21(14)18-9-10-5-7-11(17)8-6-10/h1-9H,(H,20,22)/b18-9+
InChIKey
HRQLYGMWMGGZIH-GIJQJNRQSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.02988 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03716 172.0
[M+Na]+ 355.01910 187.4
[M+NH4]+ 350.06370 179.5
[M+K]+ 370.99304 178.3
[M-H]- 331.02260 176.0
[M+Na-2H]- 353.00455 181.2
[M]+ 332.02933 176.0
[M]- 332.03043 176.0
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.