CID 23058061

2,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene

Structural Information

Molecular Formula
C16H26B2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C16H26B2O4S/c1-13(2)14(3,4)20-17(19-13)11-9-10-12(23-11)18-21-15(5,6)16(7,8)22-18/h9-10H,1-8H3
InChIKey
AOJXAKMKFDBHHT-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

336.1738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.181076 158.3
[M+Na]+ 359.163018 169.2
[M-H]- 335.166524 171.7
[M+NH4]+ 354.207623 181.3
[M+K]+ 375.136958 172.0
[M+H-H2O]+ 319.171060 160.4
[M+HCOO]- 381.172001 172.5
[M+CH3COO]- 395.187651 173.1
[M+Na-2H]- 357.148466 161.5
[M]+ 336.17325142 167.9
[M]- 336.17434858 167.9
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