CID 51341863

1956322-28-3

Structural Information

Molecular Formula
C11H11F2NO2
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C11H11F2NO2/c12-7-1-6(2-8(13)3-7)9-4-14-5-10(9)11(15)16/h1-3,9-10,14H,4-5H2,(H,15,16)/t9-,10+/m0/s1
InChIKey
KVSZYVNSKMDFAF-VHSXEESVSA-N
Compound name
(3S,4R)-4-(3,5-difluorophenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07579 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08307 146.5
[M+Na]+ 250.06501 154.2
[M-H]- 226.06851 146.8
[M+NH4]+ 245.10961 163.6
[M+K]+ 266.03895 149.7
[M+H-H2O]+ 210.07305 138.4
[M+HCOO]- 272.07399 162.9
[M+CH3COO]- 286.08964 184.1
[M+Na-2H]- 248.05046 146.2
[M]+ 227.07524 139.7
[M]- 227.07634 139.7
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.