CID 53429055

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

Structural Information

Molecular Formula
C12H15BBrIO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)I)Br
InChI
InChI=1S/C12H15BBrIO2/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7H,1-4H3
InChIKey
VWSLBDHHWQNXEW-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.93933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.94661 164.7
[M+Na]+ 430.92855 171.1
[M-H]- 406.93205 168.9
[M+NH4]+ 425.97315 182.5
[M+K]+ 446.90249 168.5
[M+H-H2O]+ 390.93659 163.0
[M+HCOO]- 452.93753 178.8
[M+CH3COO]- 466.95318 206.4
[M+Na-2H]- 428.91400 159.9
[M]+ 407.93878 182.8
[M]- 407.93988 182.8
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.