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]+ 232.11322 150.7
[M+Na]+ 254.09516 157.2
[M-H]- 230.09866 155.5
[M+NH4]+ 249.13976 167.7
[M+K]+ 270.06910 153.3
[M+H-H2O]+ 214.10320 142.2
[M+HCOO]- 276.10414 173.7
[M+CH3COO]- 290.11979 192.9
[M+Na-2H]- 252.08061 155.6
[M]+ 231.10539 148.2
[M]- 231.10649 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.