CID 165994999

2612277-43-5

Structural Information

Molecular Formula
C16H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC2=CC=C(C=C2)OCC
InChI
InChI=1S/C16H25BO3/c1-6-18-14-9-7-13(8-10-14)11-12-17-19-15(2,3)16(4,5)20-17/h7-10H,6,11-12H2,1-5H3
InChIKey
SSYZCYQNRODYPZ-UHFFFAOYSA-N
Compound name
2-[2-(4-ethoxyphenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19695 161.0
[M+Na]+ 299.17889 169.2
[M-H]- 275.18239 169.3
[M+NH4]+ 294.22349 181.0
[M+K]+ 315.15283 169.3
[M+H-H2O]+ 259.18693 156.2
[M+HCOO]- 321.18787 181.3
[M+CH3COO]- 335.20352 199.9
[M+Na-2H]- 297.16434 165.9
[M]+ 276.18912 166.6
[M]- 276.19022 166.6
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

No patent data available for this compound.