CID 3328624

3-benzoylphthalide

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

C1=CC=C(C=C1)C(=O)C2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C15H10O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18-14/h1-9,14H

InChIKey

VFYWJHQGTBBWGY-UHFFFAOYSA-N

Compound name

3-benzoyl-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.06299 Da
Monoisotopic Mass: 2.6
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]+	239.070266	149.9
[M+Na]+	261.052208	158.5
[M-H]-	237.055714	158.6
[M+NH4]+	256.096813	168.8
[M+K]+	277.026148	156.0
[M+H-H2O]+	221.060250	143.5
[M+HCOO]-	283.061191	172.2
[M+CH3COO]-	297.076841	163.6
[M+Na-2H]-	259.037656	155.1
[M]+	238.06244142	151.1
[M]-	238.06353858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe