CID 504666

Chembl81468

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C=C1)OC2=NC3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C14H9NO3/c16-13-11-8-4-5-9-12(11)15-14(18-13)17-10-6-2-1-3-7-10/h1-9H
InChIKey
HEUHCZWBJKOXNK-UHFFFAOYSA-N
Compound name
2-phenoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

239.05824 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 148.6
[M+Na]+ 262.04746 158.8
[M-H]- 238.05096 156.2
[M+NH4]+ 257.09206 164.4
[M+K]+ 278.02140 156.2
[M+H-H2O]+ 222.05550 140.0
[M+HCOO]- 284.05644 171.3
[M+CH3COO]- 298.07209 162.3
[M+Na-2H]- 260.03291 159.1
[M]+ 239.05769 151.8
[M]- 239.05879 151.8
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.