CID 112764

2-chloro-1,4-diisopropoxybenzene

Structural Information

Molecular Formula

C₁₂H₁₇ClO₂

SMILES

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

InChI

InChI=1S/C12H17ClO2/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9H,1-4H3

InChIKey

KHJPWDHXQSXQRM-UHFFFAOYSA-N

Compound name

2-chloro-1,4-di(propan-2-yloxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.0917 Da
Monoisotopic Mass: 4.3
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]+	229.09898	148.5
[M+Na]+	251.08092	156.8
[M-H]-	227.08442	152.3
[M+NH4]+	246.12552	168.0
[M+K]+	267.05486	154.2
[M+H-H2O]+	211.08896	143.7
[M+HCOO]-	273.08990	166.1
[M+CH3COO]-	287.10555	192.2
[M+Na-2H]-	249.06637	150.9
[M]+	228.09115	154.0
[M]-	228.09225	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe