CID 11160323

103361-42-8

Structural Information

Molecular Formula

C₁₁H₉FN₂O₂

SMILES

C#CCN1C(=O)COC2=C1C=C(C(=C2)F)N

InChI

InChI=1S/C11H9FN2O2/c1-2-3-14-9-5-8(13)7(12)4-10(9)16-6-11(14)15/h1,4-5H,3,6,13H2

InChIKey

VHRCRGJPHYNVGS-UHFFFAOYSA-N

Compound name

6-amino-7-fluoro-4-prop-2-ynyl-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 88
Patents: 220.0648 Da
Monoisotopic Mass: 0.6
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]+	221.07208	151.0
[M+Na]+	243.05402	162.8
[M+NH4]+	238.09862	154.5
[M+K]+	259.02796	153.8
[M-H]-	219.05752	144.4
[M+Na-2H]-	241.03947	151.4
[M]+	220.06425	149.9
[M]-	220.06535	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe