CID 3804259

3-hydroxyisobenzofuran-1(3h)-one

Structural Information

Molecular Formula
C8H6O3
SMILES
C1=CC=C2C(=C1)C(OC2=O)O
InChI
InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9H
InChIKey
JKNKNWJNCOJPLI-UHFFFAOYSA-N
Compound name
3-hydroxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

996
Patents

150.0317 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03898 125.7
[M+Na]+ 173.02092 138.2
[M+NH4]+ 168.06552 134.7
[M+K]+ 188.99486 134.9
[M-H]- 149.02442 128.4
[M+Na-2H]- 171.00637 130.6
[M]+ 150.03115 128.2
[M]- 150.03225 128.2
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