CID 639747

5-hydroxy-1,3-dihydro-2-benzofuran-1,3-dione

Structural Information

Molecular Formula
C8H4O4
SMILES
C1=CC2=C(C=C1O)C(=O)OC2=O
InChI
InChI=1S/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H
InChIKey
PXHIYFMTRHEUHZ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

692
Patents

164.01096 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe