CID 135742116

2359705-88-5

Structural Information

Molecular Formula

C₁₃H₁₁FN₂O₃

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3F

InChI

InChI=1S/C13H11FN2O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6H2,(H,15,17,18)

InChIKey

RSDXKDVFVKDIFY-UHFFFAOYSA-N

Compound name

3-(7-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 262.07538 Da
Monoisotopic Mass: 0.3
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]+	263.082656	156.6
[M+Na]+	285.064598	165.7
[M-H]-	261.068104	159.1
[M+NH4]+	280.109203	172.8
[M+K]+	301.038538	160.4
[M+H-H2O]+	245.072640	148.2
[M+HCOO]-	307.073581	172.0
[M+CH3COO]-	321.089231	193.3
[M+Na-2H]-	283.050046	156.9
[M]+	262.07483142	151.5
[M]-	262.07592858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe