CID 30431

20978-96-5

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1N(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO2/c16-14-12-8-4-5-9-13(12)17-10-15(14)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
CIDCGFNYVUUFRG-UHFFFAOYSA-N
Compound name
3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 148.2
[M+Na]+ 248.06820 164.4
[M+NH4]+ 243.11280 157.8
[M+K]+ 264.04214 156.4
[M-H]- 224.07170 154.6
[M+Na-2H]- 246.05365 157.3
[M]+ 225.07843 152.5
[M]- 225.07953 152.5
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.