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: 140
Patents: 174.06808 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.07536	139.3
[M+Na]+	197.05730	153.8
[M+NH4]+	192.10190	151.1
[M+K]+	213.03124	148.3
[M-H]-	173.06080	151.3
[M+Na-2H]-	195.04275	149.5
[M]+	174.06753	146.1
[M]-	174.06863	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe