CID 25787

Brn 0651603

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1C2=CC=CC=C2N(C(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C14H11NO2/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14/h1-9H,10H2

InChIKey

JOZFJYSDJQXFRK-UHFFFAOYSA-N

Compound name

1-phenyl-4H-3,1-benzoxazin-2-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

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	147.3
[M+Na]+	248.068198	155.6
[M-H]-	224.071704	154.1
[M+NH4]+	243.112803	163.5
[M+K]+	264.042138	152.7
[M+H-H2O]+	208.076240	138.9
[M+HCOO]-	270.077181	167.0
[M+CH3COO]-	284.092831	160.0
[M+Na-2H]-	246.053646	155.8
[M]+	225.07843142	146.2
[M]-	225.07952858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe