CID 121552575

4,4,5,5-tetramethyl-2-(2,3,4-trichlorophenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H14BCl3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H14BCl3O2/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(14)10(16)9(7)15/h5-6H,1-4H3
InChIKey
WDZTUCRLWSSSRZ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,3,4-trichlorophenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.01523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.02251 157.8
[M+Na]+ 329.00445 170.0
[M-H]- 305.00795 164.9
[M+NH4]+ 324.04905 178.0
[M+K]+ 344.97839 166.2
[M+H-H2O]+ 289.01249 155.8
[M+HCOO]- 351.01343 163.9
[M+CH3COO]- 365.02908 201.6
[M+Na-2H]- 326.98990 160.8
[M]+ 306.01468 163.9
[M]- 306.01578 163.9
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.