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 136.7
[M+Na]+ 211.03657 148.7
[M-H]- 187.04007 146.5
[M+NH4]+ 206.08117 155.0
[M+K]+ 227.01051 146.9
[M+H-H2O]+ 171.04461 131.9
[M+HCOO]- 233.04555 159.3
[M+CH3COO]- 247.06120 151.6
[M+Na-2H]- 209.02202 144.4
[M]+ 188.04680 141.2
[M]- 188.04790 141.2
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