CID 15906198

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

Structural Information

Molecular Formula
C14H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C)C
InChI
InChI=1S/C14H21BO2/c1-10-7-11(2)9-12(8-10)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
InChIKey
XWCNEQGQJTWRHX-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

232.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17075 149.2
[M+Na]+ 255.15269 162.7
[M+NH4]+ 250.19729 160.9
[M+K]+ 271.12663 154.9
[M-H]- 231.15619 155.8
[M+Na-2H]- 253.13814 157.8
[M]+ 232.16292 153.6
[M]- 232.16402 153.6
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