CID 16782769

1-(2-amino-2-phenylethoxy)-2-fluorobenzene hydrochloride

Structural Information

Molecular Formula
C14H14FNO
SMILES
C1=CC=C(C=C1)C(COC2=CC=CC=C2F)N
InChI
InChI=1S/C14H14FNO/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9,13H,10,16H2
InChIKey
YQMXYMOZEVGKEC-UHFFFAOYSA-N
Compound name
2-(2-fluorophenoxy)-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10594 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.113216 150.7
[M+Na]+ 254.095158 157.2
[M-H]- 230.098664 155.5
[M+NH4]+ 249.139763 167.7
[M+K]+ 270.069098 153.3
[M+H-H2O]+ 214.103200 142.2
[M+HCOO]- 276.104141 173.7
[M+CH3COO]- 290.119791 192.9
[M+Na-2H]- 252.080606 155.6
[M]+ 231.10539142 148.2
[M]- 231.10648858 148.2
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.