CID 23556

Benzofuran-3(2h)-one

Structural Information

Molecular Formula
C8H6O2
SMILES
C1C(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C8H6O2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
InChIKey
MGKPCLNUSDGXGT-UHFFFAOYSA-N
Compound name
1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2717
Patents

134.03677 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.044046 121.1
[M+Na]+ 157.025988 130.7
[M-H]- 133.029494 126.8
[M+NH4]+ 152.070593 144.8
[M+K]+ 172.999928 130.0
[M+H-H2O]+ 117.034030 116.6
[M+HCOO]- 179.034971 145.1
[M+CH3COO]- 193.050621 170.3
[M+Na-2H]- 155.011436 130.0
[M]+ 134.03622142 122.0
[M]- 134.03731858 122.0
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