CID 3046389

62052-50-0

Structural Information

Molecular Formula
C12H15ClO6S2
SMILES
CCOC(=O)C(=C1SCC(S1)OC(=O)CCl)C(=O)OCC
InChI
InChI=1S/C12H15ClO6S2/c1-3-17-10(15)9(11(16)18-4-2)12-20-6-8(21-12)19-7(14)5-13/h8H,3-6H2,1-2H3
InChIKey
VDMWGCWMRZKQOZ-UHFFFAOYSA-N
Compound name
diethyl 2-[4-(2-chloroacetyl)oxy-1,3-dithiolan-2-ylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.99985 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00713 177.4
[M+Na]+ 376.98907 182.1
[M-H]- 352.99257 180.3
[M+NH4]+ 372.03367 193.1
[M+K]+ 392.96301 178.9
[M+H-H2O]+ 336.99711 173.3
[M+HCOO]- 398.99805 181.5
[M+CH3COO]- 413.01370 203.7
[M+Na-2H]- 374.97452 171.4
[M]+ 353.99930 184.8
[M]- 354.00040 184.8
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

No patent data available for this compound.