CID 58046399

1235545-46-6

Structural Information

Molecular Formula
C14H21BO4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2)C(=O)OC)CC
InChI
InChI=1S/C14H21BO4S/c1-7-10-9(8-11(20-10)12(16)17-6)15-18-13(2,3)14(4,5)19-15/h8H,7H2,1-6H3
InChIKey
BBQFOKPYRYUXTP-UHFFFAOYSA-N
Compound name
methyl 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

296.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13265 160.9
[M+Na]+ 319.11459 170.6
[M-H]- 295.11809 170.0
[M+NH4]+ 314.15919 182.7
[M+K]+ 335.08853 171.3
[M+H-H2O]+ 279.12263 159.1
[M+HCOO]- 341.12357 177.2
[M+CH3COO]- 355.13922 200.6
[M+Na-2H]- 317.10004 161.4
[M]+ 296.12482 169.6
[M]- 296.12592 169.6
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