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]+ 149.05971 119.9
[M+Na]+ 171.04165 127.1
[M-H]- 147.04515 127.5
[M+NH4]+ 166.08625 133.6
[M+K]+ 187.01559 129.9
[M+H-H2O]+ 131.04969 109.4
[M+HCOO]- 193.05063 142.7
[M+CH3COO]- 207.06628 177.3
[M+Na-2H]- 169.02710 128.7
[M]+ 148.05188 128.9
[M]- 148.05298 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.