CID 9636369

4-{[(e)-(2,6-dichlorophenyl)methylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C10H5Cl2F3N4S
SMILES
C1=CC(=C(C(=C1)Cl)/C=N/N2C(=NNC2=S)C(F)(F)F)Cl
InChI
InChI=1S/C10H5Cl2F3N4S/c11-6-2-1-3-7(12)5(6)4-16-19-8(10(13,14)15)17-18-9(19)20/h1-4H,(H,18,20)/b16-4+
InChIKey
OZAOXBQZRWWBHC-AYSLTRBKSA-N
Compound name
4-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.95642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.96370 165.8
[M+Na]+ 362.94564 179.0
[M-H]- 338.94914 165.5
[M+NH4]+ 357.99024 179.4
[M+K]+ 378.91958 170.2
[M+H-H2O]+ 322.95368 156.3
[M+HCOO]- 384.95462 170.0
[M+CH3COO]- 398.97027 204.8
[M+Na-2H]- 360.93109 165.4
[M]+ 339.95587 166.3
[M]- 339.95697 166.3
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.