CID 3859755

1171023-50-9

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)CN

InChI

InChI=1S/C13H12ClNO/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8H,9,15H2

InChIKey

OARRDZAFQFAGKN-UHFFFAOYSA-N

Compound name

[3-(4-chlorophenoxy)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 233.06075 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]+	234.06803	149.7
[M+Na]+	256.04997	165.5
[M+NH4]+	251.09457	159.6
[M+K]+	272.02391	156.5
[M-H]-	232.05347	155.6
[M+Na-2H]-	254.03542	160.1
[M]+	233.06020	154.1
[M]-	233.06130	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe