CID 43227583

1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C13H16FNO
SMILES
CC(C(=O)C1=CC=C(C=C1)F)N2CCCC2
InChI
InChI=1S/C13H16FNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKey
UYOUBVZNVDVMOA-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1216 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.128876 149.9
[M+Na]+ 244.110818 155.5
[M-H]- 220.114324 153.4
[M+NH4]+ 239.155423 168.2
[M+K]+ 260.084758 152.8
[M+H-H2O]+ 204.118860 141.6
[M+HCOO]- 266.119801 168.6
[M+CH3COO]- 280.135451 188.9
[M+Na-2H]- 242.096266 150.2
[M]+ 221.12105142 145.9
[M]- 221.12214858 145.9
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.