CID 11970879

84946-10-1

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂O₂

SMILES

CC1(OCCO1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C10H10Cl2O2/c1-10(13-4-5-14-10)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5H2,1H3

InChIKey

HAXWHYNRHOLHCE-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 232.00578 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]+	233.013056	146.0
[M+Na]+	254.994998	156.1
[M-H]-	230.998504	153.5
[M+NH4]+	250.039603	166.4
[M+K]+	270.968938	153.5
[M+H-H2O]+	215.003040	142.2
[M+HCOO]-	277.003981	158.3
[M+CH3COO]-	291.019631	159.8
[M+Na-2H]-	252.980446	151.7
[M]+	232.00523142	149.6
[M]-	232.00632858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe