CID 4405766

618070-34-1

Structural Information

Molecular Formula
C11H9ClFNO3
SMILES
C1CN(C(=O)C1C(=O)O)C2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C11H9ClFNO3/c12-8-5-6(1-2-9(8)13)14-4-3-7(10(14)15)11(16)17/h1-2,5,7H,3-4H2,(H,16,17)
InChIKey
FBVNKQODFQWCAI-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.0255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03278 150.8
[M+Na]+ 280.01472 160.7
[M-H]- 256.01822 154.1
[M+NH4]+ 275.05932 168.5
[M+K]+ 295.98866 155.8
[M+H-H2O]+ 240.02276 144.2
[M+HCOO]- 302.02370 165.6
[M+CH3COO]- 316.03935 190.2
[M+Na-2H]- 278.00017 150.6
[M]+ 257.02495 150.2
[M]- 257.02605 150.2
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