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 158.5
[M+Na]+ 272.14212 162.6
[M-H]- 248.14562 162.8
[M+NH4]+ 267.18672 176.7
[M+K]+ 288.11606 158.8
[M+H-H2O]+ 232.15016 150.3
[M+HCOO]- 294.15110 179.8
[M+CH3COO]- 308.16675 196.3
[M+Na-2H]- 270.12757 159.4
[M]+ 249.15235 154.5
[M]- 249.15345 154.5
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.