CID 730986

34762-56-6

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)N)Cl

InChI

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

InChIKey

ISKGMPXNIRIOQC-UHFFFAOYSA-N

Compound name

4-[(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	149.7
[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