CID 234226

4-phenyl-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C9H8O3
SMILES
C1C(OC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
ZKOGUIGAVNCCKH-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3809
Patents

164.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 130.8
[M+Na]+ 187.03657 143.7
[M+NH4]+ 182.08117 139.7
[M+K]+ 203.01051 140.2
[M-H]- 163.04007 136.7
[M+Na-2H]- 185.02202 137.5
[M]+ 164.04680 134.2
[M]- 164.04790 134.2
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

patents stripe