CID 2926548

1998-86-3

Structural Information

Molecular Formula

C₁₁H₁₀FNO₃

SMILES

C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)O

InChI

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

InChIKey

SPNFIZUVZRKIQZ-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	224.071746	144.9
[M+Na]+	246.053688	153.2
[M-H]-	222.057194	148.1
[M+NH4]+	241.098293	162.9
[M+K]+	262.027628	150.1
[M+H-H2O]+	206.061730	137.5
[M+HCOO]-	268.062671	164.4
[M+CH3COO]-	282.078321	185.1
[M+Na-2H]-	244.039136	145.9
[M]+	223.06392142	141.9
[M]-	223.06501858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe