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 147.3
[M+Na]+ 248.06820 155.6
[M-H]- 224.07170 154.1
[M+NH4]+ 243.11280 163.5
[M+K]+ 264.04214 152.7
[M+H-H2O]+ 208.07624 138.9
[M+HCOO]- 270.07718 167.0
[M+CH3COO]- 284.09283 160.0
[M+Na-2H]- 246.05365 155.8
[M]+ 225.07843 146.2
[M]- 225.07953 146.2
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.