CID 762596

3-(4-nitrophenoxy)phenol

Structural Information

Molecular Formula

C₁₂H₉NO₄

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H9NO4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H

InChIKey

DROHRAYYEDKXIN-UHFFFAOYSA-N

Compound name

3-(4-nitrophenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 231.05316 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]+	232.06044	146.8
[M+Na]+	254.04238	162.0
[M+NH4]+	249.08698	155.1
[M+K]+	270.01632	157.9
[M-H]-	230.04588	152.1
[M+Na-2H]-	252.02783	155.9
[M]+	231.05261	150.4
[M]-	231.05371	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe