CID 186734

60725-62-4

Structural Information

Molecular Formula

C₁₃H₁₃FN₂O₂

SMILES

C1CCN2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C13H13FN2O2/c14-9-4-3-5-10(8-9)16-12(17)11-6-1-2-7-15(11)13(16)18/h3-5,8,11H,1-2,6-7H2

InChIKey

YVCJMNSBDCPIIG-UHFFFAOYSA-N

Compound name

2-(3-fluorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.0961 Da
Monoisotopic Mass: 1.9
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]+	249.103376	154.3
[M+Na]+	271.085318	162.8
[M-H]-	247.088824	157.8
[M+NH4]+	266.129923	171.7
[M+K]+	287.059258	158.4
[M+H-H2O]+	231.093360	145.3
[M+HCOO]-	293.094301	170.9
[M+CH3COO]-	307.109951	165.8
[M+Na-2H]-	269.070766	155.6
[M]+	248.09555142	149.8
[M]-	248.09664858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe