CID 69770

730-23-4

Structural Information

Molecular Formula

C₁₂H₁₀N₄O₂

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)N

InChI

InChI=1S/C12H10N4O2/c13-9-4-6-10(7-5-9)14-15-11-2-1-3-12(8-11)16(17)18/h1-8H,13H2

InChIKey

MDMDJAOEKAAIGH-UHFFFAOYSA-N

Compound name

4-[(3-nitrophenyl)diazenyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 242.08037 Da
Monoisotopic Mass: 3.2
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]+	243.08765	151.1
[M+Na]+	265.06959	164.7
[M+NH4]+	260.11419	159.5
[M+K]+	281.04353	160.0
[M-H]-	241.07309	159.1
[M+Na-2H]-	263.05504	161.2
[M]+	242.07982	155.1
[M]-	242.08092	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe