CID 17999151

Trimethyl({2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl})silane

Structural Information

Molecular Formula
C17H25BO2Si
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#C[Si](C)(C)C
InChI
InChI=1S/C17H25BO2Si/c1-16(2)17(3,4)20-18(19-16)15-10-8-9-14(13-15)11-12-21(5,6)7/h8-10,13H,1-7H3
InChIKey
LDKJXCOLGXLWKP-UHFFFAOYSA-N
Compound name
trimethyl-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

300.1717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17898 164.9
[M+Na]+ 323.16092 176.6
[M-H]- 299.16442 171.1
[M+NH4]+ 318.20552 182.7
[M+K]+ 339.13486 172.1
[M+H-H2O]+ 283.16896 154.5
[M+HCOO]- 345.16990 177.9
[M+CH3COO]- 359.18555 207.5
[M+Na-2H]- 321.14637 168.8
[M]+ 300.17115 162.9
[M]- 300.17225 162.9
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