CID 81192

4-(2,4-dinitrophenylazo)phenol

Structural Information

Molecular Formula

C₁₂H₈N₄O₅

SMILES

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

InChI

InChI=1S/C12H8N4O5/c17-10-4-1-8(2-5-10)13-14-11-6-3-9(15(18)19)7-12(11)16(20)21/h1-7,17H

InChIKey

SQAYGJNMLDVSHZ-UHFFFAOYSA-N

Compound name

4-[(2,4-dinitrophenyl)diazenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 53
Patents: 288.04947 Da
Monoisotopic Mass: 3.0
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]+	289.05675	163.2
[M+Na]+	311.03869	176.7
[M+NH4]+	306.08329	169.9
[M+K]+	327.01263	175.7
[M-H]-	287.04219	170.4
[M+Na-2H]-	309.02414	171.0
[M]+	288.04892	166.8
[M]-	288.05002	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe