CID 555407

2-phenyl-4h-1,3-benzoxazin-4-one

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)17-14(15-13)10-6-2-1-3-7-10/h1-9H
InChIKey
GWDYJKXSUSPLEA-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

223.06332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.4
[M+Na]+ 246.05254 155.8
[M-H]- 222.05604 153.0
[M+NH4]+ 241.09714 161.9
[M+K]+ 262.02648 152.5
[M+H-H2O]+ 206.06058 137.1
[M+HCOO]- 268.06152 168.0
[M+CH3COO]- 282.07717 159.2
[M+Na-2H]- 244.03799 155.9
[M]+ 223.06277 147.2
[M]- 223.06387 147.2
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