CID 79661469

4,4,5,5-tetramethyl-2-(2,3,5,6-tetramethylphenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC(=C2C)C)C)C
InChI
InChI=1S/C16H25BO2/c1-10-9-11(2)13(4)14(12(10)3)17-18-15(5,6)16(7,8)19-17/h9H,1-8H3
InChIKey
AZWYJPWJSZFEBV-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,3,5,6-tetramethylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20204 152.9
[M+Na]+ 283.18398 164.1
[M-H]- 259.18748 162.5
[M+NH4]+ 278.22858 174.7
[M+K]+ 299.15792 163.7
[M+H-H2O]+ 243.19202 149.5
[M+HCOO]- 305.19296 173.1
[M+CH3COO]- 319.20861 201.6
[M+Na-2H]- 281.16943 156.4
[M]+ 260.19421 158.5
[M]- 260.19531 158.5
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.