CID 139022563

2-(methanesulfonylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C8H17BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)CS(=O)(=O)C
InChI
InChI=1S/C8H17BO4S/c1-7(2)8(3,4)13-9(12-7)6-14(5,10)11/h6H2,1-5H3
InChIKey
RRWOVQGSHFWMNG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(methylsulfonylmethyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10134 138.0
[M+Na]+ 243.08328 147.7
[M-H]- 219.08678 143.6
[M+NH4]+ 238.12788 160.7
[M+K]+ 259.05722 149.4
[M+H-H2O]+ 203.09132 136.6
[M+HCOO]- 265.09226 153.4
[M+CH3COO]- 279.10791 184.1
[M+Na-2H]- 241.06873 144.8
[M]+ 220.09351 144.7
[M]- 220.09461 144.7
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.