CID 2774420

497163-88-9

Structural Information

Molecular Formula
C12H12FNO4
SMILES
C1C(CN(C1C(=O)O)C(=O)C2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H12FNO4/c13-8-3-1-7(2-4-8)11(16)14-6-9(15)5-10(14)12(17)18/h1-4,9-10,15H,5-6H2,(H,17,18)
InChIKey
ZQKMWRGUSKTUKM-UHFFFAOYSA-N
Compound name
1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.07504 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08232 153.1
[M+Na]+ 276.06426 160.0
[M-H]- 252.06776 154.8
[M+NH4]+ 271.10886 169.0
[M+K]+ 292.03820 157.0
[M+H-H2O]+ 236.07230 145.7
[M+HCOO]- 298.07324 169.8
[M+CH3COO]- 312.08889 188.2
[M+Na-2H]- 274.04971 151.9
[M]+ 253.07449 149.3
[M]- 253.07559 149.3
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