CID 13111189

2-phenyloxetan-3-one

Structural Information

Molecular Formula
C9H8O2
SMILES
C1C(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKey
YUZXDOLBTJJCDY-UHFFFAOYSA-N
Compound name
2-phenyloxetan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.05243 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 119.9
[M+Na]+ 171.041648 127.1
[M-H]- 147.045154 127.5
[M+NH4]+ 166.086253 133.6
[M+K]+ 187.015588 129.9
[M+H-H2O]+ 131.049690 109.4
[M+HCOO]- 193.050631 142.7
[M+CH3COO]- 207.066281 177.3
[M+Na-2H]- 169.027096 128.7
[M]+ 148.05188142 128.9
[M]- 148.05297858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.