CID 21951892

4-(benzyloxy)-3-fluoroaniline

Structural Information

Molecular Formula

C₁₃H₁₂FNO

SMILES

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

InChI

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

InChIKey

XLEYXHRMSUPJST-UHFFFAOYSA-N

Compound name

3-fluoro-4-phenylmethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 217.09029 Da
Monoisotopic Mass: 2.8
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	147.3
[M+Na]+	240.07951	161.2
[M+NH4]+	235.12411	156.1
[M+K]+	256.05345	153.2
[M-H]-	216.08301	151.5
[M+Na-2H]-	238.06496	156.8
[M]+	217.08974	150.5
[M]-	217.09084	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe