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]+ 228.083066 146.5
[M+Na]+ 250.065008 154.2
[M-H]- 226.068514 146.8
[M+NH4]+ 245.109613 163.6
[M+K]+ 266.038948 149.7
[M+H-H2O]+ 210.073050 138.4
[M+HCOO]- 272.073991 162.9
[M+CH3COO]- 286.089641 184.1
[M+Na-2H]- 248.050456 146.2
[M]+ 227.07524142 139.7
[M]- 227.07633858 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.