CID 2063244

56135-50-3

Structural Information

Molecular Formula

C₁₃H₈ClNO₄

SMILES

C1=CC(=CC=C1C=O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8ClNO4/c14-10-3-6-13(12(7-10)15(17)18)19-11-4-1-9(8-16)2-5-11/h1-8H

InChIKey

AVGYAFMBCXTPJQ-UHFFFAOYSA-N

Compound name

4-(4-chloro-2-nitrophenoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.0142 Da
Monoisotopic Mass: 3.4
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]+	278.02148	155.8
[M+Na]+	300.00342	172.4
[M+NH4]+	295.04802	164.2
[M+K]+	315.97736	167.1
[M-H]-	276.00692	161.3
[M+Na-2H]-	297.98887	164.9
[M]+	277.01365	160.0
[M]-	277.01475	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe