CID 20375

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

Structural Information

Molecular Formula
C5H6Cl4O2
SMILES
C1C(OC(O1)C(Cl)(Cl)Cl)CCl
InChI
InChI=1S/C5H6Cl4O2/c6-1-3-2-10-4(11-3)5(7,8)9/h3-4H,1-2H2
InChIKey
DADNQTMXKHQSRJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(trichloromethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.91219 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91947 149.1
[M+Na]+ 260.90141 157.2
[M-H]- 236.90491 150.2
[M+NH4]+ 255.94601 166.2
[M+K]+ 276.87535 154.7
[M+H-H2O]+ 220.90945 146.7
[M+HCOO]- 282.91039 148.3
[M+CH3COO]- 296.92604 186.1
[M+Na-2H]- 258.88686 152.3
[M]+ 237.91164 150.0
[M]- 237.91274 150.0
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