CID 135685723

1218-69-5

Structural Information

Molecular Formula

C₁₄H₉NO₃

SMILES

C1=CC=C(C(=C1)C2=NC(=O)C3=CC=CC=C3O2)O

InChI

InChI=1S/C14H9NO3/c16-11-7-3-1-5-9(11)14-15-13(17)10-6-2-4-8-12(10)18-14/h1-8,16H

InChIKey

NSWIROGSZPXREF-UHFFFAOYSA-N

Compound name

2-(2-hydroxyphenyl)-1,3-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 148
Patents: 239.05824 Da
Monoisotopic Mass: 2.1
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]+	240.065516	149.3
[M+Na]+	262.047458	160.0
[M-H]-	238.050964	155.9
[M+NH4]+	257.092063	164.7
[M+K]+	278.021398	156.5
[M+H-H2O]+	222.055500	141.2
[M+HCOO]-	284.056441	170.5
[M+CH3COO]-	298.072091	162.6
[M+Na-2H]-	260.032906	158.6
[M]+	239.05769142	151.1
[M]-	239.05878858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe