CID 11076114

2057416-43-8

Structural Information

Molecular Formula
C16H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CCC2=CC=CC=C2
InChI
InChI=1S/C16H23BO2/c1-15(2)16(3,4)19-17(18-15)13-9-8-12-14-10-6-5-7-11-14/h5-7,9-11,13H,8,12H2,1-4H3/b13-9+
InChIKey
XMYNGYPSTGHXEL-UKTHLTGXSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-4-phenylbut-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18638 158.0
[M+Na]+ 281.16832 165.7
[M-H]- 257.17182 166.0
[M+NH4]+ 276.21292 178.4
[M+K]+ 297.14226 164.7
[M+H-H2O]+ 241.17636 153.0
[M+HCOO]- 303.17730 178.3
[M+CH3COO]- 317.19295 195.2
[M+Na-2H]- 279.15377 163.2
[M]+ 258.17855 160.9
[M]- 258.17965 160.9
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

No patent data available for this compound.