CID 824911

100867-08-1

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

COC1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3

InChIKey

XGVAEAVGTOZSNS-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenoxy)methyl]-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 259.08447 Da
Monoisotopic Mass: 3.2
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]+	260.09175	155.7
[M+Na]+	282.07369	171.0
[M+NH4]+	277.11829	164.0
[M+K]+	298.04763	166.2
[M-H]-	258.07719	161.4
[M+Na-2H]-	280.05914	164.9
[M]+	259.08392	159.5
[M]-	259.08502	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe