CID 6500394

3-chloro-4-isopropoxyaniline

Structural Information

Molecular Formula

C₉H₁₂ClNO

SMILES

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

InChI

InChI=1S/C9H12ClNO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3

InChIKey

YXBDJALKYPUAFT-UHFFFAOYSA-N

Compound name

3-chloro-4-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 185.06075 Da
Monoisotopic Mass: 2.8
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]+	186.06803	136.8
[M+Na]+	208.04997	150.0
[M+NH4]+	203.09457	146.0
[M+K]+	224.02391	143.4
[M-H]-	184.05347	139.8
[M+Na-2H]-	206.03542	143.7
[M]+	185.06020	139.8
[M]-	185.06130	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe