CID 20361

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

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

0
Patents

203.95116 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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