CID 23010256

455280-08-7

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)N

InChI

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

InChIKey

CHDORYQMOGJXJT-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methoxy]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 233.06075 Da
Monoisotopic Mass: 3.3
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]+	234.06803	149.6
[M+Na]+	256.04997	158.6
[M-H]-	232.05347	156.0
[M+NH4]+	251.09457	168.0
[M+K]+	272.02391	153.1
[M+H-H2O]+	216.05801	143.2
[M+HCOO]-	278.05895	170.4
[M+CH3COO]-	292.07460	191.3
[M+Na-2H]-	254.03542	155.6
[M]+	233.06020	151.1
[M]-	233.06130	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe