CID 11745119

1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

Structural Information

Molecular Formula
C11H10O2
SMILES
C1C2C1(C(=O)OC2)C3=CC=CC=C3
InChI
InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
WZGFIZUMKYUMRN-UHFFFAOYSA-N
Compound name
1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

174.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 134.3
[M+Na]+ 197.057298 145.2
[M-H]- 173.060804 143.7
[M+NH4]+ 192.101903 153.0
[M+K]+ 213.031238 143.8
[M+H-H2O]+ 157.065340 129.2
[M+HCOO]- 219.066281 156.7
[M+CH3COO]- 233.081931 149.0
[M+Na-2H]- 195.042746 142.6
[M]+ 174.06753142 137.7
[M]- 174.06862858 137.7
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