CID 43122

4-(cyclopentylamino)-4'-fluorobutyrophenone hydrochloride

Structural Information

Molecular Formula
C15H20FNO
SMILES
C1CCC(C1)NCCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C15H20FNO/c16-13-9-7-12(8-10-13)15(18)6-3-11-17-14-4-1-2-5-14/h7-10,14,17H,1-6,11H2
InChIKey
YNTNYHCCKMGOTH-UHFFFAOYSA-N
Compound name
4-(cyclopentylamino)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.1529 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16018 161.1
[M+Na]+ 272.14212 170.3
[M+NH4]+ 267.18672 168.8
[M+K]+ 288.11606 164.7
[M-H]- 248.14562 163.5
[M+Na-2H]- 270.12757 166.4
[M]+ 249.15235 162.8
[M]- 249.15345 162.8
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.