CID 260947

3,3'-dichloroazoxybenzene

Structural Information

Molecular Formula

C₁₂H₈Cl₂N₂O

SMILES

C1=CC(=CC(=C1)Cl)N=[N+](C2=CC(=CC=C2)Cl)[O-]

InChI

InChI=1S/C12H8Cl2N2O/c13-9-3-1-5-11(7-9)15-16(17)12-6-2-4-10(14)8-12/h1-8H

InChIKey

SXCDGVDBGGCCLV-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)-(3-chlorophenyl)imino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 266.00137 Da
Monoisotopic Mass: 4.4
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]+	267.00865	154.4
[M+Na]+	288.99059	172.0
[M+NH4]+	284.03519	164.8
[M+K]+	304.96453	164.4
[M-H]-	264.99409	162.0
[M+Na-2H]-	286.97604	165.4
[M]+	266.00082	159.9
[M]-	266.00192	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe