CID 2912652

56617-43-7

Structural Information

Molecular Formula

C₁₁H₁₀FNO₃

SMILES

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

InChI

InChI=1S/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)

InChIKey

JYYMPQMWOVXMDK-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 25
Patents: 223.06447 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]+	224.07175	149.3
[M+Na]+	246.05369	159.5
[M+NH4]+	241.09829	155.5
[M+K]+	262.02763	156.5
[M-H]-	222.05719	149.0
[M+Na-2H]-	244.03914	153.3
[M]+	223.06392	150.2
[M]-	223.06502	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe