CID 20361

4353-02-0

Structural Information

Molecular Formula

C₅H₇Cl₃O₂

SMILES

CC1COC(O1)C(Cl)(Cl)Cl

InChI

InChI=1S/C5H7Cl3O2/c1-3-2-9-4(10-3)5(6,7)8/h3-4H,2H2,1H3

InChIKey

YNEGMVUIENQSCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.95116 Da
Monoisotopic Mass: 2.2
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]+	204.95844	140.3
[M+Na]+	226.94038	149.2
[M-H]-	202.94388	143.2
[M+NH4]+	221.98498	159.5
[M+K]+	242.91432	147.2
[M+H-H2O]+	186.94842	137.9
[M+HCOO]-	248.94936	145.3
[M+CH3COO]-	262.96501	179.7
[M+Na-2H]-	224.92583	145.4
[M]+	203.95061	142.5
[M]-	203.95171	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe