CID 202766

13260-76-9

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3NC(=O)O2

InChI

InChI=1S/C14H11NO2/c16-14-15-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9,13H,(H,15,16)

InChIKey

FBEMUXLHFRBHHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.07898 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.086256	147.6
[M+Na]+	248.068198	155.5
[M-H]-	224.071704	153.1
[M+NH4]+	243.112803	163.2
[M+K]+	264.042138	151.7
[M+H-H2O]+	208.076240	139.6
[M+HCOO]-	270.077181	165.9
[M+CH3COO]-	284.092831	159.7
[M+Na-2H]-	246.053646	155.7
[M]+	225.07843142	144.8
[M]-	225.07952858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe