CID 767247

93677-89-5

Structural Information

Molecular Formula
C8H6Cl2N4S
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NNC(=S)N2N
InChI
InChI=1S/C8H6Cl2N4S/c9-4-1-2-5(6(10)3-4)7-12-13-8(15)14(7)11/h1-3H,11H2,(H,13,15)
InChIKey
MRAFZTIQQGCSTN-UHFFFAOYSA-N
Compound name
4-amino-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.96902 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.976296 151.3
[M+Na]+ 282.958238 164.3
[M-H]- 258.961744 153.2
[M+NH4]+ 278.002843 167.3
[M+K]+ 298.932178 156.3
[M+H-H2O]+ 242.966280 145.1
[M+HCOO]- 304.967221 158.5
[M+CH3COO]- 318.982871 163.2
[M+Na-2H]- 280.943686 151.2
[M]+ 259.96847142 152.7
[M]- 259.96956858 152.7
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

patents stripe