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

141
Patents

174.06808 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 134.3
[M+Na]+ 197.05730 145.2
[M-H]- 173.06080 143.7
[M+NH4]+ 192.10190 153.0
[M+K]+ 213.03124 143.8
[M+H-H2O]+ 157.06534 129.2
[M+HCOO]- 219.06628 156.7
[M+CH3COO]- 233.08193 149.0
[M+Na-2H]- 195.04275 142.6
[M]+ 174.06753 137.7
[M]- 174.06863 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