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: 44
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]+	258.076096	155.7
[M+Na]+	280.058038	162.6
[M-H]-	256.061544	162.7
[M+NH4]+	275.102643	171.4
[M+K]+	296.031978	155.6
[M+H-H2O]+	240.066080	152.4
[M+HCOO]-	302.067021	181.7
[M+CH3COO]-	316.082671	189.0
[M+Na-2H]-	278.043486	163.2
[M]+	257.06827142	156.5
[M]-	257.06936858	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe