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 162.7
[M+Na]+ 286.15777 169.2
[M-H]- 262.16127 166.3
[M+NH4]+ 281.20237 180.0
[M+K]+ 302.13171 165.2
[M+H-H2O]+ 246.16581 154.3
[M+HCOO]- 308.16675 181.4
[M+CH3COO]- 322.18240 199.4
[M+Na-2H]- 284.14322 161.2
[M]+ 263.16800 161.1
[M]- 263.16910 161.1
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.