CID 26940

4-(2,4-dichlorophenoxy)aniline

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO

SMILES

C1=CC(=CC=C1N)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7H,15H2

InChIKey

RWDOREOERSVIRK-UHFFFAOYSA-N

Compound name

4-(2,4-dichlorophenoxy)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 164
Patents: 253.00612 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]+	254.01340	151.3
[M+Na]+	275.99534	168.1
[M+NH4]+	271.03994	161.4
[M+K]+	291.96928	158.9
[M-H]-	251.99884	157.0
[M+Na-2H]-	273.98079	161.6
[M]+	253.00557	156.2
[M]-	253.00667	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe