CID 259281

2489-92-1

Structural Information

Molecular Formula

C₁₆H₁₀O₅

SMILES

C1=CC(=CC=C1C(=O)C=O)OC2=CC=C(C=C2)C(=O)C=O

InChI

InChI=1S/C16H10O5/c17-9-15(19)11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)16(20)10-18/h1-10H

InChIKey

UMKLLTDPOCJBCK-UHFFFAOYSA-N

Compound name

2-[4-(4-oxaldehydoylphenoxy)phenyl]-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 282.05283 Da
Monoisotopic Mass: 2.1
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]+	283.06011	159.1
[M+Na]+	305.04205	166.8
[M-H]-	281.04555	166.1
[M+NH4]+	300.08665	174.3
[M+K]+	321.01599	164.2
[M+H-H2O]+	265.05009	151.3
[M+HCOO]-	327.05103	182.7
[M+CH3COO]-	341.06668	199.2
[M+Na-2H]-	303.02750	162.5
[M]+	282.05228	162.8
[M]-	282.05338	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe