CID 56973099

942069-47-8

Structural Information

Molecular Formula
C14H20BBrO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Br)C)C
InChI
InChI=1S/C14H20BBrO2/c1-9-7-11(8-12(16)10(9)2)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3
InChIKey
BVLKEWVLPFCMIJ-UHFFFAOYSA-N
Compound name
2-(3-bromo-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07397 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08125 158.6
[M+Na]+ 333.06319 172.3
[M-H]- 309.06669 170.2
[M+NH4]+ 328.10779 181.4
[M+K]+ 349.03713 163.9
[M+H-H2O]+ 293.07123 161.0
[M+HCOO]- 355.07217 177.1
[M+CH3COO]- 369.08782 203.3
[M+Na-2H]- 331.04864 164.2
[M]+ 310.07342 181.5
[M]- 310.07452 181.5
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.