CID 9964142

5-hydroxy-3(2h)-benzofuranone

Structural Information

Molecular Formula
C8H6O3
SMILES
C1C(=O)C2=C(O1)C=CC(=C2)O
InChI
InChI=1S/C8H6O3/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,9H,4H2
InChIKey
WCHUTMOUMWZQFD-UHFFFAOYSA-N
Compound name
5-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

150.0317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 124.4
[M+Na]+ 173.02092 134.4
[M-H]- 149.02442 129.1
[M+NH4]+ 168.06552 146.9
[M+K]+ 188.99486 133.3
[M+H-H2O]+ 133.02896 120.3
[M+HCOO]- 195.02990 147.1
[M+CH3COO]- 209.04555 170.9
[M+Na-2H]- 171.00637 132.3
[M]+ 150.03115 125.4
[M]- 150.03225 125.4
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