CID 106646

4-chloro-4-methyl-1,3-dioxa-2-thia-4-silacycloheptane 2,2-dioxide

Structural Information

Molecular Formula
C4H9ClO4SSi
SMILES
C[Si]1(CCCOS(=O)(=O)O1)Cl
InChI
InChI=1S/C4H9ClO4SSi/c1-11(5)4-2-3-8-10(6,7)9-11/h2-4H2,1H3
InChIKey
ZSGSKCKHOVFCJP-UHFFFAOYSA-N
Compound name
4-chloro-4-methyl-1,3,2,4-dioxathiasilepane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.96794 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97522 128.7
[M+Na]+ 238.95716 135.7
[M-H]- 214.96066 134.4
[M+NH4]+ 234.00176 148.5
[M+K]+ 254.93110 139.9
[M+H-H2O]+ 198.96520 125.3
[M+HCOO]- 260.96614 139.3
[M+CH3COO]- 274.98179 177.7
[M+Na-2H]- 236.94261 136.0
[M]+ 215.96739 129.3
[M]- 215.96849 129.3
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.