CID 9560733

4-((2,3-dichlorobenzylidene)amino)-5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C15H9Cl2FN4S
SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H9Cl2FN4S/c16-12-3-1-2-10(13(12)17)8-19-22-14(20-21-15(22)23)9-4-6-11(18)7-5-9/h1-8H,(H,21,23)/b19-8+
InChIKey
HKVLCMDYHBXMPJ-UFWORHAWSA-N
Compound name
4-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.9909 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99818 178.8
[M+Na]+ 388.98012 194.9
[M+NH4]+ 384.02472 186.2
[M+K]+ 404.95406 185.2
[M-H]- 364.98362 182.6
[M+Na-2H]- 386.96557 187.4
[M]+ 365.99035 183.2
[M]- 365.99145 183.2
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.