CID 71756754

1-(4-fluorophenyl)-2-(pyrrolidin-2-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H14FNO
SMILES
C1CC(NC1)CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2
InChIKey
WKHFPFSWNGZMIV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10594 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.113216 145.6
[M+Na]+ 230.095158 151.5
[M-H]- 206.098664 147.7
[M+NH4]+ 225.139763 163.8
[M+K]+ 246.069098 147.6
[M+H-H2O]+ 190.103200 137.6
[M+HCOO]- 252.104141 164.1
[M+CH3COO]- 266.119791 182.4
[M+Na-2H]- 228.080606 147.2
[M]+ 207.10539142 139.9
[M]- 207.10648858 139.9
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.