CID 16769042

1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9FN2O5
SMILES
C1C(CN(C1=O)C2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H9FN2O5/c12-8-2-1-7(4-9(8)14(18)19)13-5-6(11(16)17)3-10(13)15/h1-2,4,6H,3,5H2,(H,16,17)
InChIKey
OYTOPXTXZVALGC-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.04956 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05684 153.0
[M+Na]+ 291.03878 160.2
[M-H]- 267.04228 156.4
[M+NH4]+ 286.08338 168.1
[M+K]+ 307.01272 153.4
[M+H-H2O]+ 251.04682 150.0
[M+HCOO]- 313.04776 173.4
[M+CH3COO]- 327.06341 187.4
[M+Na-2H]- 289.02423 155.4
[M]+ 268.04901 148.9
[M]- 268.05011 148.9
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

No patent data available for this compound.