CID 17823352

304859-20-9

Structural Information

Molecular Formula
C12H11F2NO3
SMILES
C1C(CN(C1=O)CC2=C(C=CC=C2F)F)C(=O)O
InChI
InChI=1S/C12H11F2NO3/c13-9-2-1-3-10(14)8(9)6-15-5-7(12(17)18)4-11(15)16/h1-3,7H,4-6H2,(H,17,18)
InChIKey
LMXMCRSCDJNUNL-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.0707 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07798 151.8
[M+Na]+ 278.05992 160.6
[M-H]- 254.06342 153.8
[M+NH4]+ 273.10452 168.7
[M+K]+ 294.03386 156.8
[M+H-H2O]+ 238.06796 143.5
[M+HCOO]- 300.06890 169.8
[M+CH3COO]- 314.08455 192.1
[M+Na-2H]- 276.04537 151.0
[M]+ 255.07015 148.4
[M]- 255.07125 148.4
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