CID 4182007

1-(4-fluorophenyl)-2-oxo-3-pyrrolidinecarboxylic acid

Structural Information

Molecular Formula
C11H10FNO3
SMILES
C1CN(C(=O)C1C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)
InChIKey
GKKWONDBUXUCHF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

223.06447 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe