CID 15417854

4,4,5,5-tetramethyl-2-{2h,3h-thieno[3,4-b][1,4]dioxin-5-yl}-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H17BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CS2)OCCO3
InChI
InChI=1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)10-9-8(7-18-10)14-5-6-15-9/h7H,5-6H2,1-4H3
InChIKey
HRLHWIMNIQOHRF-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

268.09406 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10134 152.7
[M+Na]+ 291.08328 162.5
[M-H]- 267.08678 163.4
[M+NH4]+ 286.12788 173.6
[M+K]+ 307.05722 165.3
[M+H-H2O]+ 251.09132 151.6
[M+HCOO]- 313.09226 165.9
[M+CH3COO]- 327.10791 166.9
[M+Na-2H]- 289.06873 157.3
[M]+ 268.09351 158.9
[M]- 268.09461 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe