CID 6879797

478255-80-0

Structural Information

Molecular Formula
C16H12Cl2N4S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H12Cl2N4S/c1-10-3-2-4-12(7-10)15-20-21-16(23)22(15)19-9-11-5-6-13(17)14(18)8-11/h2-9H,1H3,(H,21,23)/b19-9+
InChIKey
DONOKKAOWOSMFX-DJKKODMXSA-N
Compound name
4-[(E)-(3,4-dichlorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.01596 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02324 183.0
[M+Na]+ 385.00518 200.2
[M+NH4]+ 380.04978 191.2
[M+K]+ 400.97912 189.8
[M-H]- 361.00868 188.4
[M+Na-2H]- 382.99063 192.0
[M]+ 362.01541 188.1
[M]- 362.01651 188.1
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.