CID 15647002

1-phenyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

Structural Information

Molecular Formula
C11H8O3
SMILES
C1C2C1(C(=O)OC2=O)C3=CC=CC=C3
InChI
InChI=1S/C11H8O3/c12-9-8-6-11(8,10(13)14-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
VRVFLPPXIRCEOE-UHFFFAOYSA-N
Compound name
1-phenyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.05463 141.6
[M+Na]+ 211.03657 156.1
[M+NH4]+ 206.08117 152.7
[M+K]+ 227.01051 151.2
[M-H]- 187.04007 153.0
[M+Na-2H]- 209.02202 151.2
[M]+ 188.04680 148.2
[M]- 188.04790 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe