CID 259125

2-(2-fluoroethyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula

C₁₀H₈FNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCF

InChI

InChI=1S/C10H8FNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2

InChIKey

UGHQXUGNHRFFBS-UHFFFAOYSA-N

Compound name

2-(2-fluoroethyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.05391 Da
Monoisotopic Mass: 1.8
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]+	194.06119	136.5
[M+Na]+	216.04313	147.2
[M-H]-	192.04663	139.0
[M+NH4]+	211.08773	158.0
[M+K]+	232.01707	143.9
[M+H-H2O]+	176.05117	129.9
[M+HCOO]-	238.05211	158.5
[M+CH3COO]-	252.06776	183.1
[M+Na-2H]-	214.02858	141.3
[M]+	193.05336	137.0
[M]-	193.05446	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe