CID 10421413

833482-53-4

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

CNCC1=CC=CC=C1OC2=CC=C(C=C2)F

InChI

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

InChIKey

BSDBBIKNDVSUNF-UHFFFAOYSA-N

Compound name

1-[2-(4-fluorophenoxy)phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	149.6
[M+Na]+	254.09516	157.3
[M-H]-	230.09866	155.2
[M+NH4]+	249.13976	167.3
[M+K]+	270.06910	153.3
[M+H-H2O]+	214.10320	141.2
[M+HCOO]-	276.10414	174.2
[M+CH3COO]-	290.11979	193.8
[M+Na-2H]-	252.08061	156.0
[M]+	231.10539	149.1
[M]-	231.10649	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe