CID 44118223

4-vinylphenylboronic acid dibutyl ester

Structural Information

Molecular Formula
C16H25BO2
SMILES
B(C1=CC=C(C=C1)C=C)(OCCCC)OCCCC
InChI
InChI=1S/C16H25BO2/c1-4-7-13-18-17(19-14-8-5-2)16-11-9-15(6-3)10-12-16/h6,9-12H,3-5,7-8,13-14H2,1-2H3
InChIKey
FMCWKSPNBZWDIL-UHFFFAOYSA-N
Compound name
dibutoxy-(4-ethenylphenyl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.20204 164.2
[M+Na]+ 283.18398 169.2
[M-H]- 259.18748 166.7
[M+NH4]+ 278.22858 181.2
[M+K]+ 299.15792 166.3
[M+H-H2O]+ 243.19202 157.1
[M+HCOO]- 305.19296 185.8
[M+CH3COO]- 319.20861 200.0
[M+Na-2H]- 281.16943 166.3
[M]+ 260.19421 168.9
[M]- 260.19531 168.9
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