CID 466105

5-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula
C17H18FN
SMILES
C1CC(C2=C(C1)C=NC=C2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H18FN/c18-16-8-5-13(6-9-16)4-7-14-2-1-3-15-12-19-11-10-17(14)15/h5-6,8-12,14H,1-4,7H2
InChIKey
OCIVFFFETICUPC-UHFFFAOYSA-N
Compound name
5-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14233 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14961 158.8
[M+Na]+ 278.13155 165.4
[M-H]- 254.13505 162.8
[M+NH4]+ 273.17615 175.1
[M+K]+ 294.10549 159.6
[M+H-H2O]+ 238.13959 149.0
[M+HCOO]- 300.14053 176.6
[M+CH3COO]- 314.15618 169.6
[M+Na-2H]- 276.11700 164.2
[M]+ 255.14178 154.8
[M]- 255.14288 154.8
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.