CID 137949074

2246853-73-4

Structural Information

Molecular Formula
C12H21BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C2CCS(=O)(=O)CC2
InChI
InChI=1S/C12H21BO4S/c1-11(2)12(3,4)17-13(16-11)9-10-5-7-18(14,15)8-6-10/h9H,5-8H2,1-4H3
InChIKey
GBDJNWKJHICZAO-UHFFFAOYSA-N
Compound name
4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13265 150.9
[M+Na]+ 295.11459 159.2
[M-H]- 271.11809 158.8
[M+NH4]+ 290.15919 173.1
[M+K]+ 311.08853 159.5
[M+H-H2O]+ 255.12263 148.6
[M+HCOO]- 317.12357 164.0
[M+CH3COO]- 331.13922 192.2
[M+Na-2H]- 293.10004 155.0
[M]+ 272.12482 153.2
[M]- 272.12592 153.2
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.