CID 20113512

1016531-20-6

Structural Information

Molecular Formula

C₁₃H₁₂FNO

SMILES

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

InChI

InChI=1S/C13H12FNO/c14-11-4-6-13(7-5-11)16-9-10-2-1-3-12(15)8-10/h1-8H,9,15H2

InChIKey

KGXDFHZVDFLUTB-UHFFFAOYSA-N

Compound name

3-[(4-fluorophenoxy)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.09029 Da
Monoisotopic Mass: 2.4
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]+	218.09757	145.5
[M+Na]+	240.07951	153.7
[M-H]-	216.08301	150.8
[M+NH4]+	235.12411	163.6
[M+K]+	256.05345	149.7
[M+H-H2O]+	200.08755	137.4
[M+HCOO]-	262.08849	169.9
[M+CH3COO]-	276.10414	190.2
[M+Na-2H]-	238.06496	151.5
[M]+	217.08974	143.7
[M]-	217.09084	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe