CID 84820109

1370535-33-3

Structural Information

Molecular Formula
C11H19BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCS(=O)(=O)CC2
InChI
InChI=1S/C11H19BO4S/c1-10(2)11(3,4)16-12(15-10)9-5-7-17(13,14)8-6-9/h5H,6-8H2,1-4H3
InChIKey
ALXDCUFWZWEIFD-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-thiopyran 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

258.1097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11698 145.7
[M+Na]+ 281.09892 155.2
[M-H]- 257.10242 154.3
[M+NH4]+ 276.14352 168.7
[M+K]+ 297.07286 156.1
[M+H-H2O]+ 241.10696 143.4
[M+HCOO]- 303.10790 160.5
[M+CH3COO]- 317.12355 190.2
[M+Na-2H]- 279.08437 151.2
[M]+ 258.10915 149.9
[M]- 258.11025 149.9
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