CID 23750

Einecs 230-837-9

Structural Information

Molecular Formula

C₁₂H₈Cl₂N₂

SMILES

C1=CC=C(C(=C1)N=NC2=CC=CC=C2Cl)Cl

InChI

InChI=1S/C12H8Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H

InChIKey

FIQUJBRQBIUISO-UHFFFAOYSA-N

Compound name

bis(2-chlorophenyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 77
Patents: 250.00645 Da
Monoisotopic Mass: 5.0
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]+	251.01373	152.6
[M+Na]+	272.99567	162.7
[M-H]-	248.99917	161.3
[M+NH4]+	268.04027	171.9
[M+K]+	288.96961	157.0
[M+H-H2O]+	233.00371	146.0
[M+HCOO]-	295.00465	172.9
[M+CH3COO]-	309.02030	199.9
[M+Na-2H]-	270.98112	160.2
[M]+	250.00590	156.7
[M]-	250.00700	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe