CID 229759

4-benzoyldihydro-3h-furan-2-one

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C(COC1=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10O3/c12-10-6-9(7-14-10)11(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
ZNOUXOIZMNTERL-UHFFFAOYSA-N
Compound name
4-benzoyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

190.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.2
[M+Na]+ 213.05221 145.2
[M-H]- 189.05571 145.6
[M+NH4]+ 208.09681 157.9
[M+K]+ 229.02615 144.5
[M+H-H2O]+ 173.06025 132.4
[M+HCOO]- 235.06119 160.7
[M+CH3COO]- 249.07684 180.0
[M+Na-2H]- 211.03766 142.5
[M]+ 190.06244 137.5
[M]- 190.06354 137.5
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