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]+ 256.149606 158.8
[M+Na]+ 278.131548 165.4
[M-H]- 254.135054 162.8
[M+NH4]+ 273.176153 175.1
[M+K]+ 294.105488 159.6
[M+H-H2O]+ 238.139590 149.0
[M+HCOO]- 300.140531 176.6
[M+CH3COO]- 314.156181 169.6
[M+Na-2H]- 276.116996 164.2
[M]+ 255.14178142 154.8
[M]- 255.14287858 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.