CID 25065

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

Structural Information

Molecular Formula
C6H10Cl2O2
SMILES
CC1COC(O1)C(CCl)Cl
InChI
InChI=1S/C6H10Cl2O2/c1-4-3-9-6(10-4)5(8)2-7/h4-6H,2-3H2,1H3
InChIKey
BNSRVFGXRITOQK-UHFFFAOYSA-N
Compound name
2-(1,2-dichloroethyl)-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

184.00578 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01306 133.8
[M+Na]+ 206.99500 145.5
[M+NH4]+ 202.03960 142.7
[M+K]+ 222.96894 141.8
[M-H]- 182.99850 137.1
[M+Na-2H]- 204.98045 137.3
[M]+ 184.00523 136.8
[M]- 184.00633 136.8
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