CID 2063446

81307-09-7

Structural Information

Molecular Formula

C₁₅H₁₃NO₅

SMILES

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

InChI

InChI=1S/C15H13NO5/c1-20-15-8-12(9-17)4-7-14(15)21-10-11-2-5-13(6-3-11)16(18)19/h2-9H,10H2,1H3

InChIKey

LBZHTZHIZXKRQK-UHFFFAOYSA-N

Compound name

3-methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 287.07938 Da
Monoisotopic Mass: 2.6
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]+	288.08666	162.4
[M+Na]+	310.06860	177.3
[M+NH4]+	305.11320	169.6
[M+K]+	326.04254	172.9
[M-H]-	286.07210	167.3
[M+Na-2H]-	308.05405	170.4
[M]+	287.07883	165.8
[M]-	287.07993	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe