CID 43189203

1-(3-fluoro-4-phenoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C14H14FNO
SMILES
CC(C1=CC(=C(C=C1)OC2=CC=CC=C2)F)N
InChI
InChI=1S/C14H14FNO/c1-10(16)11-7-8-14(13(15)9-11)17-12-5-3-2-4-6-12/h2-10H,16H2,1H3
InChIKey
NQRARIZCGBWPGN-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-phenoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10594 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11322 152.0
[M+Na]+ 254.09516 165.3
[M+NH4]+ 249.13976 160.5
[M+K]+ 270.06910 157.9
[M-H]- 230.09866 156.0
[M+Na-2H]- 252.08061 160.9
[M]+ 231.10539 155.1
[M]- 231.10649 155.1
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.