CID 3064106

Phthalaldehydic anhydride

Structural Information

Molecular Formula

C₁₆H₁₀O₅

SMILES

C1=CC=C(C(=C1)C=O)C(=O)OC(=O)C2=CC=CC=C2C=O

InChI

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

InChIKey

ZYFUINKRRQFAPT-UHFFFAOYSA-N

Compound name

(2-formylbenzoyl) 2-formylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
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	159.6
[M+Na]+	305.04205	167.5
[M-H]-	281.04555	166.7
[M+NH4]+	300.08665	174.9
[M+K]+	321.01599	164.9
[M+H-H2O]+	265.05009	151.8
[M+HCOO]-	327.05103	183.2
[M+CH3COO]-	341.06668	197.8
[M+Na-2H]-	303.02750	163.0
[M]+	282.05228	163.1
[M]-	282.05338	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.