CID 56973209

1111095-99-8

Structural Information

Molecular Formula
C11H16BBrO2S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(S2)Br)C
InChI
InChI=1S/C11H16BBrO2S/c1-7-6-8(16-9(7)13)12-14-10(2,3)11(4,5)15-12/h6H,1-5H3
InChIKey
BHDPHFRKQRKEPW-UHFFFAOYSA-N
Compound name
2-(5-bromo-4-methylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01474 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02202 148.8
[M+Na]+ 325.00396 163.6
[M-H]- 301.00746 160.7
[M+NH4]+ 320.04856 174.2
[M+K]+ 340.97790 155.4
[M+H-H2O]+ 285.01200 153.2
[M+HCOO]- 347.01294 164.7
[M+CH3COO]- 361.02859 197.6
[M+Na-2H]- 322.98941 152.9
[M]+ 302.01419 173.4
[M]- 302.01529 173.4
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.