CID 24208815

476310-75-5

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

CNCC1=C(C=CC(=C1)F)OC2=CC=CC=C2

InChI

InChI=1S/C14H14FNO/c1-16-10-11-9-12(15)7-8-14(11)17-13-5-3-2-4-6-13/h2-9,16H,10H2,1H3

InChIKey

JDHPXUQPTBDLHJ-UHFFFAOYSA-N

Compound name

1-(5-fluoro-2-phenoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 231.10594 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	232.11322	151.8
[M+Na]+	254.09516	165.8
[M+NH4]+	249.13976	160.6
[M+K]+	270.06910	157.3
[M-H]-	230.09866	156.2
[M+Na-2H]-	252.08061	161.5
[M]+	231.10539	155.1
[M]-	231.10649	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe