CID 457292

N-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C9H8Cl2N4
SMILES
C1=CC(=C(C=C1Cl)Cl)CNN2C=NN=C2
InChI
InChI=1S/C9H8Cl2N4/c10-8-2-1-7(9(11)3-8)4-14-15-5-12-13-6-15/h1-3,5-6,14H,4H2
InChIKey
XFHSBTXBXLFGSQ-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.0126 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.019876 148.8
[M+Na]+ 265.001818 159.3
[M-H]- 241.005324 150.9
[M+NH4]+ 260.046423 164.9
[M+K]+ 280.975758 153.3
[M+H-H2O]+ 225.009860 140.0
[M+HCOO]- 287.010801 162.4
[M+CH3COO]- 301.026451 160.8
[M+Na-2H]- 262.987266 154.3
[M]+ 242.01205142 151.1
[M]- 242.01314858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.