CID 291193

4-methoxyisobenzofuran-1,3-dione

Structural Information

Molecular Formula

C₉H₆O₄

SMILES

COC1=CC=CC2=C1C(=O)OC2=O

InChI

InChI=1S/C9H6O4/c1-12-6-4-2-3-5-7(6)9(11)13-8(5)10/h2-4H,1H3

InChIKey

KRKJKLCCCGDNCY-UHFFFAOYSA-N

Compound name

4-methoxy-2-benzofuran-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
Patents: 178.02661 Da
Monoisotopic Mass: 1.3
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]+	179.03389	131.9
[M+Na]+	201.01583	144.6
[M+NH4]+	196.06043	140.2
[M+K]+	216.98977	141.4
[M-H]-	177.01933	134.3
[M+Na-2H]-	199.00128	136.3
[M]+	178.02606	134.3
[M]-	178.02716	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe