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

2
Patents

188.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.054626 136.7
[M+Na]+ 211.036568 148.7
[M-H]- 187.040074 146.5
[M+NH4]+ 206.081173 155.0
[M+K]+ 227.010508 146.9
[M+H-H2O]+ 171.044610 131.9
[M+HCOO]- 233.045551 159.3
[M+CH3COO]- 247.061201 151.6
[M+Na-2H]- 209.022016 144.4
[M]+ 188.04680142 141.2
[M]- 188.04789858 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