CID 146049563

2489456-33-7

Structural Information

Molecular Formula
C10H17BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCS(=O)(=O)C2
InChI
InChI=1S/C10H17BO4S/c1-9(2)10(3,4)15-11(14-9)8-5-6-16(12,13)7-8/h5H,6-7H2,1-4H3
InChIKey
SLMLCTANLYPUJG-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.09406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10134 141.2
[M+Na]+ 267.08328 152.1
[M-H]- 243.08678 150.4
[M+NH4]+ 262.12788 166.6
[M+K]+ 283.05722 153.0
[M+H-H2O]+ 227.09132 140.5
[M+HCOO]- 289.09226 158.5
[M+CH3COO]- 303.10791 187.1
[M+Na-2H]- 265.06873 146.1
[M]+ 244.09351 147.3
[M]- 244.09461 147.3
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.