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

24
Patents

150.0317 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.038976 124.4
[M+Na]+ 173.020918 134.4
[M-H]- 149.024424 129.1
[M+NH4]+ 168.065523 146.9
[M+K]+ 188.994858 133.3
[M+H-H2O]+ 133.028960 120.3
[M+HCOO]- 195.029901 147.1
[M+CH3COO]- 209.045551 170.9
[M+Na-2H]- 171.006366 132.3
[M]+ 150.03115142 125.4
[M]- 150.03224858 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