CID 12164214

904315-54-4

Structural Information

Molecular Formula

C₁₂H₁₀FNO₂

SMILES

C1=CC=C(C(=C1)CCN2C(=O)C=CC2=O)F

InChI

InChI=1S/C12H10FNO2/c13-10-4-2-1-3-9(10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2

InChIKey

WBFDEBZQIDMVBP-UHFFFAOYSA-N

Compound name

1-[2-(2-fluorophenyl)ethyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.06955 Da
Monoisotopic Mass: 1.5
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]+	220.076826	144.1
[M+Na]+	242.058768	153.9
[M-H]-	218.062274	148.8
[M+NH4]+	237.103373	163.2
[M+K]+	258.032708	150.1
[M+H-H2O]+	202.066810	136.3
[M+HCOO]-	264.067751	167.0
[M+CH3COO]-	278.083401	187.3
[M+Na-2H]-	240.044216	147.1
[M]+	219.06900142	143.9
[M]-	219.07009858	143.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.