CID 689063

3-benzoyl-2-benzoxazolinone

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H9NO3/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17/h1-9H
InChIKey
KPUSLZMWKHIWAW-UHFFFAOYSA-N
Compound name
3-benzoyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

239.05824 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 148.4
[M+Na]+ 262.047458 159.6
[M-H]- 238.050964 156.6
[M+NH4]+ 257.092063 166.2
[M+K]+ 278.021398 156.8
[M+H-H2O]+ 222.055500 141.1
[M+HCOO]- 284.056441 172.6
[M+CH3COO]- 298.072091 162.8
[M+Na-2H]- 260.032906 155.9
[M]+ 239.05769142 152.6
[M]- 239.05878858 152.6
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