CID 3377310

3402-70-8

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H11NO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3

InChIKey

OSDQXPIRKIRPDH-UHFFFAOYSA-N

Compound name

1-(4-methylphenoxy)-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 229.0739 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]+	230.08118	148.0
[M+Na]+	252.06312	163.9
[M+NH4]+	247.10772	157.0
[M+K]+	268.03706	158.8
[M-H]-	228.06662	154.2
[M+Na-2H]-	250.04857	157.9
[M]+	229.07335	152.1
[M]-	229.07445	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe