CID 17821614

2,4-dichloro-1-isopropoxybenzene

Structural Information

Molecular Formula

C₉H₁₀Cl₂O

SMILES

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

InChI

InChI=1S/C9H10Cl2O/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6H,1-2H3

InChIKey

SKZUJEUNTYZIRO-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 102
Patents: 204.01086 Da
Monoisotopic Mass: 4.0
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]+	205.018136	137.2
[M+Na]+	227.000078	147.4
[M-H]-	203.003584	140.7
[M+NH4]+	222.044683	158.1
[M+K]+	242.974018	143.0
[M+H-H2O]+	187.008120	133.8
[M+HCOO]-	249.009061	151.4
[M+CH3COO]-	263.024711	185.1
[M+Na-2H]-	224.985526	141.8
[M]+	204.01031142	141.7
[M]-	204.01140858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe