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]+ 208.11322 145.6
[M+Na]+ 230.09516 151.5
[M-H]- 206.09866 147.7
[M+NH4]+ 225.13976 163.8
[M+K]+ 246.06910 147.6
[M+H-H2O]+ 190.10320 137.6
[M+HCOO]- 252.10414 164.1
[M+CH3COO]- 266.11979 182.4
[M+Na-2H]- 228.08061 147.2
[M]+ 207.10539 139.9
[M]- 207.10649 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.