CID 43126

Butyrophenone, 4-(cyclohexylmethylamino)-4'-fluoro-, hydrochloride

Structural Information

Molecular Formula
C17H24FNO
SMILES
CN(CCCC(=O)C1=CC=C(C=C1)F)C2CCCCC2
InChI
InChI=1S/C17H24FNO/c1-19(16-6-3-2-4-7-16)13-5-8-17(20)14-9-11-15(18)12-10-14/h9-12,16H,2-8,13H2,1H3
InChIKey
PNLPJXPVDCRHMA-UHFFFAOYSA-N
Compound name
4-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1842 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19148 167.2
[M+Na]+ 300.17342 169.6
[M-H]- 276.17692 172.2
[M+NH4]+ 295.21802 182.9
[M+K]+ 316.14736 166.9
[M+H-H2O]+ 260.18146 157.9
[M+HCOO]- 322.18240 186.1
[M+CH3COO]- 336.19805 206.2
[M+Na-2H]- 298.15887 167.6
[M]+ 277.18365 162.9
[M]- 277.18475 162.9
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.