CID 4366886

3-vinylphenylboronic acid

Structural Information

Molecular Formula
C8H9BO2
SMILES
B(C1=CC(=CC=C1)C=C)(O)O
InChI
InChI=1S/C8H9BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6,10-11H,1H2
InChIKey
SYBQEKBVWDPVJM-UHFFFAOYSA-N
Compound name
(3-ethenylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 129.4
[M+Na]+ 171.05878 141.5
[M+NH4]+ 166.10338 137.5
[M+K]+ 187.03272 136.0
[M-H]- 147.06228 130.4
[M+Na-2H]- 169.04423 135.5
[M]+ 148.06901 131.2
[M]- 148.07011 131.2
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

patents stripe