CID 15035

4-(4-nitrophenylazo)phenol

Structural Information

Molecular Formula

C₁₂H₉N₃O₃

SMILES

C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3/c16-12-7-3-10(4-8-12)14-13-9-1-5-11(6-2-9)15(17)18/h1-8,16H

InChIKey

NRJPVIOTANUINF-UHFFFAOYSA-N

Compound name

4-[(4-nitrophenyl)diazenyl]phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 103
Patents: 243.06439 Da
Monoisotopic Mass: 3.7
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]+	244.07167	150.5
[M+Na]+	266.05361	164.7
[M+NH4]+	261.09821	158.7
[M+K]+	282.02755	160.2
[M-H]-	242.05711	157.5
[M+Na-2H]-	264.03906	160.4
[M]+	243.06384	154.3
[M]-	243.06494	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe