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

5
Patents

260.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.202036 164.2
[M+Na]+ 283.183978 169.2
[M-H]- 259.187484 166.7
[M+NH4]+ 278.228583 181.2
[M+K]+ 299.157918 166.3
[M+H-H2O]+ 243.192020 157.1
[M+HCOO]- 305.192961 185.8
[M+CH3COO]- 319.208611 200.0
[M+Na-2H]- 281.169426 166.3
[M]+ 260.19421142 168.9
[M]- 260.19530858 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