CID 43113

59902-28-2

Structural Information

Molecular Formula

C₁₁H₁₃ClO₂

SMILES

CC1COC(O1)(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H13ClO2/c1-8-7-13-11(2,14-8)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3

InChIKey

GGLVIOWOIAAAQK-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 212.06041 Da
Monoisotopic Mass: 2.6
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]+	213.067686	143.3
[M+Na]+	235.049628	152.8
[M-H]-	211.053134	151.6
[M+NH4]+	230.094233	164.3
[M+K]+	251.023568	151.5
[M+H-H2O]+	195.057670	139.1
[M+HCOO]-	257.058611	160.5
[M+CH3COO]-	271.074261	183.4
[M+Na-2H]-	233.035076	149.5
[M]+	212.05986142	146.4
[M]-	212.06095858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe