CID 2384269

15962-63-7

Structural Information

Molecular Formula

C₁₄H₁₁NO₅

SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c1-19-11-3-5-12(6-4-11)20-14-7-2-10(9-16)8-13(14)15(17)18/h2-9H,1H3

InChIKey

BCNMFOKLPNNNQF-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenoxy)-3-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 273.06372 Da
Monoisotopic Mass: 2.8
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]+	274.07100	158.4
[M+Na]+	296.05294	166.0
[M-H]-	272.05644	165.7
[M+NH4]+	291.09754	173.6
[M+K]+	312.02688	159.7
[M+H-H2O]+	256.06098	155.0
[M+HCOO]-	318.06192	184.5
[M+CH3COO]-	332.07757	192.2
[M+Na-2H]-	294.03839	165.4
[M]+	273.06317	160.9
[M]-	273.06427	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe