CID 9690688

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

Structural Information

Molecular Formula
C15H10Cl2N4S
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl)Cl
InChI
InChI=1S/C15H10Cl2N4S/c16-12-7-3-1-5-10(12)9-18-21-14(19-20-15(21)22)11-6-2-4-8-13(11)17/h1-9H,(H,20,22)/b18-9+
InChIKey
OHQSFZHLLCFMMS-GIJQJNRQSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.00034 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00762 177.8
[M+Na]+ 370.98956 194.8
[M+NH4]+ 366.03416 186.1
[M+K]+ 386.96350 184.6
[M-H]- 346.99306 183.2
[M+Na-2H]- 368.97501 187.4
[M]+ 347.99979 182.9
[M]- 348.00089 182.9
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.