CID 855072

5-chloro-2-(p-tolyloxy)-aniline

Structural Information

Molecular Formula

C₁₃H₁₂ClNO

SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C13H12ClNO/c1-9-2-5-11(6-3-9)16-13-7-4-10(14)8-12(13)15/h2-8H,15H2,1H3

InChIKey

OHGYKIYLSCVORI-UHFFFAOYSA-N

Compound name

5-chloro-2-(4-methylphenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 233.06075 Da
Monoisotopic Mass: 3.8
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]+	234.06803	149.6
[M+Na]+	256.04997	159.5
[M-H]-	232.05347	156.4
[M+NH4]+	251.09457	168.3
[M+K]+	272.02391	154.1
[M+H-H2O]+	216.05801	143.5
[M+HCOO]-	278.05895	170.4
[M+CH3COO]-	292.07460	192.4
[M+Na-2H]-	254.03542	154.9
[M]+	233.06020	151.5
[M]-	233.06130	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe