CID 389710

Aminoflavone

Structural Information

Molecular Formula

C₁₆H₁₁F₃N₂O₂

SMILES

CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F

InChI

InChI=1S/C16H11F3N2O2/c1-6-13(18)15(21)12-10(22)5-11(23-16(12)14(6)19)7-2-3-9(20)8(17)4-7/h2-5H,20-21H2,1H3

InChIKey

RTUZVPPGTJRELI-UHFFFAOYSA-N

Compound name

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 42
References: 252
Patents: 320.07727 Da
Monoisotopic Mass: 3.0
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]+	321.084546	173.4
[M+Na]+	343.066488	186.7
[M-H]-	319.069994	179.0
[M+NH4]+	338.111093	187.6
[M+K]+	359.040428	181.4
[M+H-H2O]+	303.074530	162.9
[M+HCOO]-	365.075471	193.7
[M+CH3COO]-	379.091121	216.3
[M+Na-2H]-	341.051936	174.9
[M]+	320.07672142	171.4
[M]-	320.07781858	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe