CID 43811069

4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C18H28B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-10-9-11-14(12-13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChIKey
LLQQCDJVSYEQQQ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

330.21738 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22466 161.9
[M+Na]+ 353.20660 172.1
[M-H]- 329.21010 175.2
[M+NH4]+ 348.25120 182.7
[M+K]+ 369.18054 174.5
[M+H-H2O]+ 313.21464 160.4
[M+HCOO]- 375.21558 178.8
[M+CH3COO]- 389.23123 210.2
[M+Na-2H]- 351.19205 167.1
[M]+ 330.21683 168.7
[M]- 330.21793 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe