CID 16769812

1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9F2NO3
SMILES
C1C(CN(C1=O)C2=CC(=CC(=C2)F)F)C(=O)O
InChI
InChI=1S/C11H9F2NO3/c12-7-2-8(13)4-9(3-7)14-5-6(11(16)17)1-10(14)15/h2-4,6H,1,5H2,(H,16,17)
InChIKey
RONDSKCEXBOFNY-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05505 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.062326 147.1
[M+Na]+ 264.044268 156.3
[M-H]- 240.047774 149.3
[M+NH4]+ 259.088873 164.6
[M+K]+ 280.018208 152.8
[M+H-H2O]+ 224.052310 139.0
[M+HCOO]- 286.053251 165.5
[M+CH3COO]- 300.068901 189.1
[M+Na-2H]- 262.029716 146.8
[M]+ 241.05450142 143.4
[M]- 241.05559858 143.4
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