CID 136547

3-phenyl-2-oxazolidinone

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1COC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C9H9NO2/c11-9-10(6-7-12-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
NCTCGHLIHJJIBK-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1712
Patents

163.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.8
[M+Na]+ 186.05254 138.8
[M-H]- 162.05604 136.9
[M+NH4]+ 181.09714 150.4
[M+K]+ 202.02648 138.1
[M+H-H2O]+ 146.06058 124.2
[M+HCOO]- 208.06152 153.3
[M+CH3COO]- 222.07717 174.5
[M+Na-2H]- 184.03799 137.2
[M]+ 163.06277 129.7
[M]- 163.06387 129.7
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