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
3
Annotation Hits

13
References

3149
Patents

164.01096 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01824 125.6
[M+Na]+ 187.00018 136.6
[M-H]- 163.00368 130.6
[M+NH4]+ 182.04478 147.7
[M+K]+ 202.97412 135.5
[M+H-H2O]+ 147.00822 121.6
[M+HCOO]- 209.00916 148.6
[M+CH3COO]- 223.02481 173.5
[M+Na-2H]- 184.98563 132.9
[M]+ 164.01041 127.7
[M]- 164.01151 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.