CID 79515212

1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,4-dione

Structural Information

Molecular Formula

C₁₁H₈F₃NO₃

SMILES

C1C(=O)CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C11H8F3NO3/c12-11(13,14)18-9-3-1-7(2-4-9)15-6-8(16)5-10(15)17/h1-4H,5-6H2

InChIKey

WSAABNWLFCCJKP-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.04562 Da
Monoisotopic Mass: 2.2
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]+	260.052896	150.2
[M+Na]+	282.034838	159.8
[M-H]-	258.038344	152.3
[M+NH4]+	277.079443	167.5
[M+K]+	298.008778	156.6
[M+H-H2O]+	242.042880	141.2
[M+HCOO]-	304.043821	168.4
[M+CH3COO]-	318.059471	192.0
[M+Na-2H]-	280.020286	152.6
[M]+	259.04507142	146.8
[M]-	259.04616858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.