CID 9587896

Brn 0561190

Structural Information

Molecular Formula
C15H11Cl2N5
SMILES
C1=CC(=CC=C1/C=N/N2C(=NN=C2N)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N5/c16-12-5-1-10(2-6-12)9-19-22-14(20-21-15(22)18)11-3-7-13(17)8-4-11/h1-9H,(H2,18,21)/b19-9+
InChIKey
ULIZKKZOEDITKT-DJKKODMXSA-N
Compound name
5-(4-chlorophenyl)-4-[(E)-(4-chlorophenyl)methylideneamino]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.03915 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04643 175.8
[M+Na]+ 354.02837 186.8
[M-H]- 330.03187 182.1
[M+NH4]+ 349.07297 188.5
[M+K]+ 370.00231 178.6
[M+H-H2O]+ 314.03641 165.1
[M+HCOO]- 376.03735 190.8
[M+CH3COO]- 390.05300 186.6
[M+Na-2H]- 352.01382 178.8
[M]+ 331.03860 178.4
[M]- 331.03970 178.4
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.