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]+ 317.03768 151.6
[M+Na]+ 339.01962 166.8
[M-H]- 315.02312 163.7
[M+NH4]+ 334.06422 176.8
[M+K]+ 354.99356 158.3
[M+H-H2O]+ 299.02766 156.2
[M+HCOO]- 361.02860 167.2
[M+CH3COO]- 375.04425 201.5
[M+Na-2H]- 337.00507 154.9
[M]+ 316.02985 176.9
[M]- 316.03095 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.