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 137.5
[M+Na]+ 206.99500 145.6
[M-H]- 182.99850 141.3
[M+NH4]+ 202.03960 157.6
[M+K]+ 222.96894 144.5
[M+H-H2O]+ 167.00304 134.3
[M+HCOO]- 229.00398 148.4
[M+CH3COO]- 243.01963 178.0
[M+Na-2H]- 204.98045 141.5
[M]+ 184.00523 140.4
[M]- 184.00633 140.4
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