CID 17900390

849807-01-8

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

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

InChI

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

InChIKey

SUQRFOCJBJMREX-UHFFFAOYSA-N

Compound name

[4-[(2-fluorophenyl)methoxy]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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	150.2
[M+Na]+	254.09516	157.9
[M-H]-	230.09866	155.3
[M+NH4]+	249.13976	167.6
[M+K]+	270.06910	153.6
[M+H-H2O]+	214.10320	141.8
[M+HCOO]-	276.10414	174.2
[M+CH3COO]-	290.11979	193.2
[M+Na-2H]-	252.08061	155.6
[M]+	231.10539	148.7
[M]-	231.10649	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe