CID 12367684

1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H12FNO3
SMILES
C1CC(N(C1)C(=O)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H12FNO3/c13-9-5-3-8(4-6-9)11(15)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7H2,(H,16,17)
InChIKey
LTUZWGRJHXDJQU-UHFFFAOYSA-N
Compound name
1-(4-fluorobenzoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

237.08012 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.087396 150.3
[M+Na]+ 260.069338 157.0
[M-H]- 236.072844 153.1
[M+NH4]+ 255.113943 167.4
[M+K]+ 276.043278 154.2
[M+H-H2O]+ 220.077380 142.6
[M+HCOO]- 282.078321 168.4
[M+CH3COO]- 296.093971 187.2
[M+Na-2H]- 258.054786 150.2
[M]+ 237.07957142 146.5
[M]- 237.08066858 146.5
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