CID 735836

4-(4-nitrobenzyloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₄H₁₁NO₄

SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2

InChIKey

RIYUFYPNHRLRON-UHFFFAOYSA-N

Compound name

4-[(4-nitrophenyl)methoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 46
Patents: 257.06882 Da
Monoisotopic Mass: 2.7
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]+	258.07610	154.9
[M+Na]+	280.05804	170.2
[M+NH4]+	275.10264	162.9
[M+K]+	296.03198	165.3
[M-H]-	256.06154	160.3
[M+Na-2H]-	278.04349	163.9
[M]+	257.06827	158.5
[M]-	257.06937	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe