CID 167731347

2409474-74-2

Structural Information

Molecular Formula
C12H23BO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CCSCC2)C
InChI
InChI=1S/C12H23BO2S/c1-10(2)11(3,4)15-13(14-10)12(5)6-8-16-9-7-12/h6-9H2,1-5H3
InChIKey
UXZFMGURNSHDGK-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methylthian-4-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15118 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.15846 147.5
[M+Na]+ 265.14040 154.5
[M-H]- 241.14390 155.2
[M+NH4]+ 260.18500 170.9
[M+K]+ 281.11434 155.5
[M+H-H2O]+ 225.14844 144.7
[M+HCOO]- 287.14938 159.8
[M+CH3COO]- 301.16503 189.6
[M+Na-2H]- 263.12585 151.5
[M]+ 242.15063 148.6
[M]- 242.15173 148.6
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.