CID 16228210

1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9F2NO3
SMILES
C1C(CN(C1=O)C2=C(C=C(C=C2)F)F)C(=O)O
InChI
InChI=1S/C11H9F2NO3/c12-7-1-2-9(8(13)4-7)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKey
CJFSZWJZSGREJQ-UHFFFAOYSA-N
Compound name
1-(2,4-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 154.8
[M+Na]+ 264.04427 164.0
[M+NH4]+ 259.08887 159.9
[M+K]+ 280.01821 161.2
[M-H]- 240.04777 152.9
[M+Na-2H]- 262.02972 157.5
[M]+ 241.05450 155.0
[M]- 241.05560 155.0
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

No patent data available for this compound.