CID 2741829

5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H10F3NO4
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C12H10F3NO4/c13-12(14,15)20-9-3-1-8(2-4-9)16-6-7(11(18)19)5-10(16)17/h1-4,7H,5-6H2,(H,18,19)
InChIKey
XEGOMPWWQGMOQJ-UHFFFAOYSA-N
Compound name
5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

289.05618 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06346 157.7
[M+Na]+ 312.04540 165.8
[M-H]- 288.04890 158.2
[M+NH4]+ 307.09000 172.9
[M+K]+ 328.01934 162.8
[M+H-H2O]+ 272.05344 148.7
[M+HCOO]- 334.05438 173.2
[M+CH3COO]- 348.07003 195.5
[M+Na-2H]- 310.03085 158.1
[M]+ 289.05563 153.6
[M]- 289.05673 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.