CID 20100067

3-fluoro-3'-methoxy[1,1'-biphenyl]-4-amine

Structural Information

Molecular Formula

C₁₃H₁₂FNO

SMILES

COC1=CC=CC(=C1)C2=CC(=C(C=C2)N)F

InChI

InChI=1S/C13H12FNO/c1-16-11-4-2-3-9(7-11)10-5-6-13(15)12(14)8-10/h2-8H,15H2,1H3

InChIKey

VRDXXLMDZOTSRM-UHFFFAOYSA-N

Compound name

2-fluoro-4-(3-methoxyphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 217.09029 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]+	218.09757	145.5
[M+Na]+	240.07951	154.7
[M-H]-	216.08301	151.3
[M+NH4]+	235.12411	163.9
[M+K]+	256.05345	150.7
[M+H-H2O]+	200.08755	137.6
[M+HCOO]-	262.08849	169.9
[M+CH3COO]-	276.10414	191.3
[M+Na-2H]-	238.06496	150.7
[M]+	217.08974	144.1
[M]-	217.09084	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe