CID 5091449

4-(2,2-dichlorovinyl)-4,5-dihydro-5,5-dimethyl-2(3h)-furanone

Structural Information

Molecular Formula
C8H10Cl2O2
SMILES
CC1(C(CC(=O)O1)C=C(Cl)Cl)C
InChI
InChI=1S/C8H10Cl2O2/c1-8(2)5(3-6(9)10)4-7(11)12-8/h3,5H,4H2,1-2H3
InChIKey
COKNOMNYGGDKQI-UHFFFAOYSA-N
Compound name
4-(2,2-dichloroethenyl)-5,5-dimethyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.00578 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01306 139.9
[M+Na]+ 230.99500 149.7
[M-H]- 206.99850 143.8
[M+NH4]+ 226.03960 162.7
[M+K]+ 246.96894 146.2
[M+H-H2O]+ 191.00304 138.0
[M+HCOO]- 253.00398 151.8
[M+CH3COO]- 267.01963 182.0
[M+Na-2H]- 228.98045 142.9
[M]+ 208.00523 142.2
[M]- 208.00633 142.2
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