CID 43143

4-(2,5-dimethylpyrrolidinyl)-4'-fluorobutyrophenone hydrochloride

Structural Information

Molecular Formula
C16H22FNO
SMILES
CC1CCC(N1CCCC(=O)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C16H22FNO/c1-12-5-6-13(2)18(12)11-3-4-16(19)14-7-9-15(17)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3
InChIKey
AZEQDGRMPFBKAF-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.16855 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17583 165.9
[M+Na]+ 286.15777 176.6
[M+NH4]+ 281.20237 173.1
[M+K]+ 302.13171 171.1
[M-H]- 262.16127 167.3
[M+Na-2H]- 284.14322 170.3
[M]+ 263.16800 167.6
[M]- 263.16910 167.6
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.