CID 3628388

131770-84-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

COC1=CC=C(C=C1)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

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

InChIKey

DKJCBEQXXUXLBQ-UHFFFAOYSA-N

Compound name

1-[(4-methoxyphenyl)methoxy]-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 259.08447 Da
Monoisotopic Mass: 3.6
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