CID 84042

5841-63-4

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1=CC=C(C=C1)C2C(=O)NC(=O)O2
InChI
InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)
InChIKey
SBYYYVAMWBVIIX-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

109
Patents

177.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 133.2
[M+Na]+ 200.031808 141.9
[M-H]- 176.035314 138.3
[M+NH4]+ 195.076413 151.7
[M+K]+ 216.005748 140.1
[M+H-H2O]+ 160.039850 127.0
[M+HCOO]- 222.040791 154.6
[M+CH3COO]- 236.056441 174.3
[M+Na-2H]- 198.017256 138.5
[M]+ 177.04204142 131.5
[M]- 177.04313858 131.5
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