CID 9568218

Brn 4748885

Structural Information

Molecular Formula

C₉H₆Cl₂N₄

SMILES

C1=CC(=C(C=C1Cl)Cl)/C=N/C2=NC=NN2

InChI

InChI=1S/C9H6Cl2N4/c10-7-2-1-6(8(11)3-7)4-12-9-13-5-14-15-9/h1-5H,(H,13,14,15)/b12-4+

InChIKey

IKZFQFDQQNFWNI-UUILKARUSA-N

Compound name

(E)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.99695 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.00423	148.8
[M+Na]+	262.98617	159.6
[M-H]-	238.98967	150.9
[M+NH4]+	258.03077	164.9
[M+K]+	278.96011	153.0
[M+H-H2O]+	222.99421	140.1
[M+HCOO]-	284.99515	162.5
[M+CH3COO]-	299.01080	160.8
[M+Na-2H]-	260.97162	154.1
[M]+	239.99640	150.2
[M]-	239.99750	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.