CID 218140

40281-26-3

Structural Information

Molecular Formula
C19H19F2NO
SMILES
C1CCN(C1)CC(C2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C19H19F2NO/c20-16-7-3-5-14(11-16)18(13-22-9-1-2-10-22)19(23)15-6-4-8-17(21)12-15/h3-8,11-12,18H,1-2,9-10,13H2
InChIKey
QQXWKLDUOUCBHE-UHFFFAOYSA-N
Compound name
1,2-bis(3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14346 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.15074 173.5
[M+Na]+ 338.13268 178.7
[M-H]- 314.13618 178.6
[M+NH4]+ 333.17728 187.5
[M+K]+ 354.10662 173.3
[M+H-H2O]+ 298.14072 162.6
[M+HCOO]- 360.14166 190.4
[M+CH3COO]- 374.15731 206.5
[M+Na-2H]- 336.11813 171.5
[M]+ 315.14291 168.3
[M]- 315.14401 168.3
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.