CID 171317611

2409474-75-3

Structural Information

Molecular Formula
C12H23BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CCS(=O)(=O)CC2)C
InChI
InChI=1S/C12H23BO4S/c1-10(2)11(3,4)17-13(16-10)12(5)6-8-18(14,15)9-7-12/h6-9H2,1-5H3
InChIKey
ISSHOURKYQBQQE-UHFFFAOYSA-N
Compound name
4-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.14102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14830 146.8
[M+Na]+ 297.13024 155.7
[M-H]- 273.13374 155.0
[M+NH4]+ 292.17484 170.9
[M+K]+ 313.10418 157.0
[M+H-H2O]+ 257.13828 145.4
[M+HCOO]- 319.13922 159.8
[M+CH3COO]- 333.15487 193.7
[M+Na-2H]- 295.11569 153.0
[M]+ 274.14047 150.7
[M]- 274.14157 150.7
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.