CID 57772515

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

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)C)C
InChI
InChI=1S/C15H23BO2/c1-10-8-12(3)13(9-11(10)2)16-17-14(4,5)15(6,7)18-16/h8-9H,1-7H3
InChIKey
WXVQNHZAYIRIJN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,4,5-trimethylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.186386 149.9
[M+Na]+ 269.168328 160.6
[M-H]- 245.171834 159.3
[M+NH4]+ 264.212933 171.9
[M+K]+ 285.142268 160.5
[M+H-H2O]+ 229.176370 146.3
[M+HCOO]- 291.177311 170.4
[M+CH3COO]- 305.192961 197.3
[M+Na-2H]- 267.153776 154.3
[M]+ 246.17856142 154.7
[M]- 246.17965858 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