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

70
Patents

223.06447 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe