CID 3153602

1-(2-fluorophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula

C₁₀H₆FNO₂

SMILES

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

InChI

InChI=1S/C10H6FNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H

InChIKey

XKQAFSGPGGEGPU-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 45
Patents: 191.03825 Da
Monoisotopic Mass: 0.6
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]+	192.04553	139.9
[M+Na]+	214.02747	152.7
[M+NH4]+	209.07207	147.4
[M+K]+	230.00141	148.0
[M-H]-	190.03097	141.2
[M+Na-2H]-	212.01292	146.6
[M]+	191.03770	141.8
[M]-	191.03880	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe