CID 2912652

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07175 144.9
[M+Na]+ 246.05369 153.2
[M-H]- 222.05719 148.1
[M+NH4]+ 241.09829 162.9
[M+K]+ 262.02763 150.1
[M+H-H2O]+ 206.06173 137.5
[M+HCOO]- 268.06267 164.4
[M+CH3COO]- 282.07832 185.1
[M+Na-2H]- 244.03914 145.9
[M]+ 223.06392 141.9
[M]- 223.06502 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

literature stripe

Patent stripe

patents stripe