CID 23063810

Pf-06840003

Structural Information

Molecular Formula

C₁₂H₉FN₂O₂

SMILES

C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F

InChI

InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)

InChIKey

MXKLDYKORJEOPR-UHFFFAOYSA-N

Compound name

3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 407
Patents: 232.0648 Da
Monoisotopic Mass: 0.9
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]+	233.07208	147.6
[M+Na]+	255.05402	158.5
[M-H]-	231.05752	150.0
[M+NH4]+	250.09862	166.4
[M+K]+	271.02796	152.6
[M+H-H2O]+	215.06206	140.3
[M+HCOO]-	277.06300	166.7
[M+CH3COO]-	291.07865	160.1
[M+Na-2H]-	253.03947	149.0
[M]+	232.06425	144.4
[M]-	232.06535	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe