CID 58834552

862129-71-3

Structural Information

Molecular Formula
C13H23BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)S(=O)(=O)C
InChI
InChI=1S/C13H23BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6,11H,7-9H2,1-5H3
InChIKey
SRPUOWRTMIEPTA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methylsulfonylcyclohexen-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

286.14102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14830 157.5
[M+Na]+ 309.13024 165.6
[M-H]- 285.13374 165.6
[M+NH4]+ 304.17484 177.4
[M+K]+ 325.10418 166.2
[M+H-H2O]+ 269.13828 154.7
[M+HCOO]- 331.13922 170.1
[M+CH3COO]- 345.15487 196.6
[M+Na-2H]- 307.11569 161.5
[M]+ 286.14047 161.3
[M]- 286.14157 161.3
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

patents stripe