CID 11459240

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

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)C)C
InChI
InChI=1S/C15H23BO2/c1-10-8-13(9-11(2)12(10)3)16-17-14(4,5)15(6,7)18-16/h8-9H,1-7H3
InChIKey
BTWKQJRQHBAYDG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3,4,5-trimethylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 149.9
[M+Na]+ 269.16833 160.6
[M-H]- 245.17183 159.3
[M+NH4]+ 264.21293 171.9
[M+K]+ 285.14227 160.5
[M+H-H2O]+ 229.17637 146.3
[M+HCOO]- 291.17731 170.4
[M+CH3COO]- 305.19296 197.3
[M+Na-2H]- 267.15378 154.3
[M]+ 246.17856 154.7
[M]- 246.17966 154.7
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