CID 138078

4-hydroxy-4'-nitrobiphenyl

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO3/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,14H

InChIKey

ZNDJDQOECGBUNK-UHFFFAOYSA-N

Compound name

4-(4-nitrophenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 768
Patents: 215.05824 Da
Monoisotopic Mass: 3.5
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]+	216.065516	143.5
[M+Na]+	238.047458	150.8
[M-H]-	214.050964	149.4
[M+NH4]+	233.092063	160.4
[M+K]+	254.021398	143.4
[M+H-H2O]+	198.055500	141.2
[M+HCOO]-	260.056441	168.3
[M+CH3COO]-	274.072091	179.0
[M+Na-2H]-	236.032906	151.6
[M]+	215.05769142	141.1
[M]-	215.05878858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe