CID 53429083

2-(4-bromo-2,5-dimethylthiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H18BBrO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2Br)C)C
InChI
InChI=1S/C12H18BBrO2S/c1-7-9(10(14)8(2)17-7)13-15-11(3,4)12(5,6)16-13/h1-6H3
InChIKey
KEBHAGARJOBBEJ-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,5-dimethylthiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.037676 151.6
[M+Na]+ 339.019618 166.8
[M-H]- 315.023124 163.7
[M+NH4]+ 334.064223 176.8
[M+K]+ 354.993558 158.3
[M+H-H2O]+ 299.027660 156.2
[M+HCOO]- 361.028601 167.2
[M+CH3COO]- 375.044251 201.5
[M+Na-2H]- 337.005066 154.9
[M]+ 316.02985142 176.9
[M]- 316.03094858 176.9
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

No patent data available for this compound.