CID 41225

6-benzoyl-2(3h)-benzoxazolone

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)O3
InChI
InChI=1S/C14H9NO3/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)
InChIKey
FNIQWNQNMXTVJJ-UHFFFAOYSA-N
Compound name
6-benzoyl-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

239.05824 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.5
[M+Na]+ 262.04746 159.2
[M-H]- 238.05096 155.4
[M+NH4]+ 257.09206 165.5
[M+K]+ 278.02140 155.5
[M+H-H2O]+ 222.05550 141.5
[M+HCOO]- 284.05644 171.2
[M+CH3COO]- 298.07209 162.2
[M+Na-2H]- 260.03291 155.6
[M]+ 239.05769 151.0
[M]- 239.05879 151.0
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