CID 204236

15997-72-5

Structural Information

Molecular Formula
C18H24FNO
SMILES
C1CCC2CN(CC2C1)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H24FNO/c19-17-9-7-14(8-10-17)18(21)6-3-11-20-12-15-4-1-2-5-16(15)13-20/h7-10,15-16H,1-6,11-13H2
InChIKey
FWEUWOCORAISBK-UHFFFAOYSA-N
Compound name
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1842 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19148 170.9
[M+Na]+ 312.17342 174.7
[M-H]- 288.17692 174.0
[M+NH4]+ 307.21802 187.3
[M+K]+ 328.14736 169.7
[M+H-H2O]+ 272.18146 161.5
[M+HCOO]- 334.18240 185.6
[M+CH3COO]- 348.19805 202.5
[M+Na-2H]- 310.15887 169.6
[M]+ 289.18365 165.2
[M]- 289.18475 165.2
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.