CID 708502

53629-19-9

Structural Information

Molecular Formula

C₁₁H₆F₃NO₂

SMILES

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(F)(F)F

InChI

InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H

InChIKey

DQGGHYHHYCKIMR-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 241.03506 Da
Monoisotopic Mass: 2.0
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]+	242.042336	145.6
[M+Na]+	264.024278	156.3
[M-H]-	240.027784	148.0
[M+NH4]+	259.068883	163.8
[M+K]+	279.998218	152.4
[M+H-H2O]+	224.032320	136.7
[M+HCOO]-	286.033261	165.0
[M+CH3COO]-	300.048911	189.5
[M+Na-2H]-	262.009726	148.7
[M]+	241.03451142	142.1
[M]-	241.03560858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe