CID 6878907

478254-85-2

Structural Information

Molecular Formula
C15H9Cl3N4S
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl3N4S/c16-11-3-1-2-10(7-11)14-20-21-15(23)22(14)19-8-9-4-5-12(17)13(18)6-9/h1-8H,(H,21,23)/b19-8+
InChIKey
WUEHFTDBRWREKB-UFWORHAWSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-(3,4-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.96136 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.96864 186.7
[M+Na]+ 404.95058 203.9
[M+NH4]+ 399.99518 194.7
[M+K]+ 420.92452 193.2
[M-H]- 380.95408 191.5
[M+Na-2H]- 402.93603 195.2
[M]+ 381.96081 191.9
[M]- 381.96191 191.9
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.