CID 170476

2,4-dichloro-5-isopropoxyaniline

Structural Information

Molecular Formula

C₉H₁₁Cl₂NO

SMILES

CC(C)OC1=C(C=C(C(=C1)N)Cl)Cl

InChI

InChI=1S/C9H11Cl2NO/c1-5(2)13-9-4-8(12)6(10)3-7(9)11/h3-5H,12H2,1-2H3

InChIKey

RWRWIICNMOKBIQ-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 65
Patents: 219.02177 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]+	220.02905	142.7
[M+Na]+	242.01099	156.7
[M+NH4]+	237.05559	151.8
[M+K]+	257.98493	149.6
[M-H]-	218.01449	145.4
[M+Na-2H]-	239.99644	149.3
[M]+	219.02122	146.1
[M]-	219.02232	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe