CID 6861422

2-chlorobenzaldehyde azine

Structural Information

Molecular Formula

C₁₄H₁₀Cl₂N₂

SMILES

C1=CC=C(C(=C1)/C=N/N=C/C2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C14H10Cl2N2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-10H/b17-9+,18-10+

InChIKey

WQRRWZFEJAGOIY-BEQMOXJMSA-N

Compound name

(E)-1-(2-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 276.0221 Da
Monoisotopic Mass: 4.6
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]+	277.029376	161.4
[M+Na]+	299.011318	171.0
[M-H]-	275.014824	169.8
[M+NH4]+	294.055923	179.6
[M+K]+	314.985258	164.2
[M+H-H2O]+	259.019360	154.4
[M+HCOO]-	321.020301	181.2
[M+CH3COO]-	335.035951	204.3
[M+Na-2H]-	296.996766	167.9
[M]+	276.02155142	165.5
[M]-	276.02264858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe