CID 457293

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

Structural Information

Molecular Formula
C9H8Cl2N4
SMILES
C1=CC(=C(C=C1Cl)Cl)CNN2C=NC=N2
InChI
InChI=1S/C9H8Cl2N4/c10-8-2-1-7(9(11)3-8)4-13-15-6-12-5-14-15/h1-3,5-6,13H,4H2
InChIKey
PRBXQRIPJBDGGI-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.0126 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01988 148.8
[M+Na]+ 265.00182 159.3
[M-H]- 241.00532 150.9
[M+NH4]+ 260.04642 164.9
[M+K]+ 280.97576 153.3
[M+H-H2O]+ 225.00986 140.0
[M+HCOO]- 287.01080 162.4
[M+CH3COO]- 301.02645 160.8
[M+Na-2H]- 262.98727 154.3
[M]+ 242.01205 151.1
[M]- 242.01315 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.