CID 22641895

2228674-28-8

Structural Information

Molecular Formula
C16H16FNO
SMILES
C1CNCC2=C1C=C(C=C2)OCC3=CC(=CC=C3)F
InChI
InChI=1S/C16H16FNO/c17-15-3-1-2-12(8-15)11-19-16-5-4-14-10-18-7-6-13(14)9-16/h1-5,8-9,18H,6-7,10-11H2
InChIKey
WVANQPZQCOXLDS-UHFFFAOYSA-N
Compound name
6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

257.12158 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12886 157.6
[M+Na]+ 280.11080 164.2
[M-H]- 256.11430 160.4
[M+NH4]+ 275.15540 173.1
[M+K]+ 296.08474 158.3
[M+H-H2O]+ 240.11884 148.2
[M+HCOO]- 302.11978 174.5
[M+CH3COO]- 316.13543 168.1
[M+Na-2H]- 278.09625 163.2
[M]+ 257.12103 152.9
[M]- 257.12213 152.9
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

patents stripe