CID 96580

3-hydroxyphthalic anhydride

Structural Information

Molecular Formula

C₈H₄O₄

SMILES

C1=CC2=C(C(=C1)O)C(=O)OC2=O

InChI

InChI=1S/C8H4O4/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,9H

InChIKey

CCTOEAMRIIXGDJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 3152
Patents: 164.01096 Da
Monoisotopic Mass: 1.5
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]+	165.01824	127.9
[M+Na]+	187.00018	140.3
[M+NH4]+	182.04478	136.0
[M+K]+	202.97412	137.6
[M-H]-	163.00368	129.9
[M+Na-2H]-	184.98563	131.9
[M]+	164.01041	130.0
[M]-	164.01151	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe