CID 15728210

2,2-bis(chloromethyl)-5,5-dimethyl-1,3-dioxane

Structural Information

Molecular Formula
C8H14Cl2O2
SMILES
CC1(COC(OC1)(CCl)CCl)C
InChI
InChI=1S/C8H14Cl2O2/c1-7(2)5-11-8(3-9,4-10)12-6-7/h3-6H2,1-2H3
InChIKey
VYJDZYMLEBCDAY-UHFFFAOYSA-N
Compound name
2,2-bis(chloromethyl)-5,5-dimethyl-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

212.03708 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04436 139.7
[M+Na]+ 235.02630 152.7
[M+NH4]+ 230.07090 151.5
[M+K]+ 251.00024 142.8
[M-H]- 211.02980 144.0
[M+Na-2H]- 233.01175 147.3
[M]+ 212.03653 143.8
[M]- 212.03763 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.