CID 13149225

5-(4-bromophenyl)-2,3-dihydro-1,3-oxazol-2-one

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
C1=CC(=CC=C1C2=CNC(=O)O2)Br
InChI
InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-11-9(12)13-8/h1-5H,(H,11,12)
InChIKey
DPMXLVLIYFTATJ-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95819 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 141.0
[M+Na]+ 261.94741 154.3
[M-H]- 237.95091 149.2
[M+NH4]+ 256.99201 161.0
[M+K]+ 277.92135 143.9
[M+H-H2O]+ 221.95545 141.1
[M+HCOO]- 283.95639 162.3
[M+CH3COO]- 297.97204 156.9
[M+Na-2H]- 259.93286 148.9
[M]+ 238.95764 160.0
[M]- 238.95874 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.