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

0
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 138.1
[M+Na]+ 235.02630 146.4
[M-H]- 211.02980 142.3
[M+NH4]+ 230.07090 159.4
[M+K]+ 251.00024 145.5
[M+H-H2O]+ 195.03434 136.0
[M+HCOO]- 257.03528 147.6
[M+CH3COO]- 271.05093 182.6
[M+Na-2H]- 233.01175 146.4
[M]+ 212.03653 141.1
[M]- 212.03763 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe