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]+ 242.06233 147.1
[M+Na]+ 264.04427 156.3
[M-H]- 240.04777 149.3
[M+NH4]+ 259.08887 164.6
[M+K]+ 280.01821 152.8
[M+H-H2O]+ 224.05231 139.0
[M+HCOO]- 286.05325 165.5
[M+CH3COO]- 300.06890 189.1
[M+Na-2H]- 262.02972 146.8
[M]+ 241.05450 143.4
[M]- 241.05560 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