CID 218136

40281-24-1

Structural Information

Molecular Formula
C19H20FNO
SMILES
C1CCN(C1)CC(C2=CC(=CC=C2)F)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H20FNO/c20-17-10-6-9-16(13-17)18(14-21-11-4-5-12-21)19(22)15-7-2-1-3-8-15/h1-3,6-10,13,18H,4-5,11-12,14H2
InChIKey
BTAPDDBTLPVVIO-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1529 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16018 170.7
[M+Na]+ 320.14212 174.8
[M-H]- 296.14562 176.7
[M+NH4]+ 315.18672 185.2
[M+K]+ 336.11606 169.9
[M+H-H2O]+ 280.15016 160.5
[M+HCOO]- 342.15110 188.6
[M+CH3COO]- 356.16675 202.7
[M+Na-2H]- 318.12757 169.9
[M]+ 297.15235 166.1
[M]- 297.15345 166.1
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.