CID 16772364

1240529-51-4

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)CN

InChI

InChI=1S/C14H14FNO/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-8H,9-10,16H2

InChIKey

DLQRSGVKMVGZLB-UHFFFAOYSA-N

Compound name

[4-[(3-fluorophenyl)methoxy]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 48
Patents: 231.10594 Da
Monoisotopic Mass: 2.3
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	151.9
[M+Na]+	254.09516	165.6
[M+NH4]+	249.13976	160.5
[M+K]+	270.06910	157.3
[M-H]-	230.09866	156.1
[M+Na-2H]-	252.08061	161.1
[M]+	231.10539	155.0
[M]-	231.10649	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe