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]+	239.07027	150.4
[M+Na]+	261.05221	164.7
[M+NH4]+	256.09681	159.4
[M+K]+	277.02615	159.6
[M-H]-	237.05571	155.8
[M+Na-2H]-	259.03766	157.7
[M]+	238.06244	154.0
[M]-	238.06354	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe