CID 58501501

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

Structural Information

Molecular Formula
C19H30B2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)B3OC(C(O3)(C)C)(C)C)C
InChI
InChI=1S/C19H30B2O4/c1-13-14(20-22-16(2,3)17(4,5)23-20)11-10-12-15(13)21-24-18(6,7)19(8,9)25-21/h10-12H,1-9H3
InChIKey
DXXVQNFYQHZXER-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-methyl-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

30
Patents

344.23303 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24031 164.4
[M+Na]+ 367.22225 175.1
[M-H]- 343.22575 177.9
[M+NH4]+ 362.26685 185.0
[M+K]+ 383.19619 177.3
[M+H-H2O]+ 327.23029 163.2
[M+HCOO]- 389.23123 180.9
[M+CH3COO]- 403.24688 214.3
[M+Na-2H]- 365.20770 168.8
[M]+ 344.23248 172.0
[M]- 344.23358 172.0
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

patents stripe