CID 64065321

2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H11ClFNO3
SMILES
CN1C(C(CC1=O)C(=O)O)C2=CC(=C(C=C2)Cl)F
InChI
InChI=1S/C12H11ClFNO3/c1-15-10(16)5-7(12(17)18)11(15)6-2-3-8(13)9(14)4-6/h2-4,7,11H,5H2,1H3,(H,17,18)
InChIKey
GQIGTTZARNEUHS-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04114 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04842 154.9
[M+Na]+ 294.03036 165.3
[M-H]- 270.03386 158.5
[M+NH4]+ 289.07496 172.4
[M+K]+ 310.00430 160.2
[M+H-H2O]+ 254.03840 148.5
[M+HCOO]- 316.03934 169.4
[M+CH3COO]- 330.05499 194.4
[M+Na-2H]- 292.01581 153.5
[M]+ 271.04059 155.1
[M]- 271.04169 155.1
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.