CID 2734393

4-vinylphenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

31
References

3124
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 128.2
[M+Na]+ 171.05878 135.8
[M-H]- 147.06228 129.4
[M+NH4]+ 166.10338 148.3
[M+K]+ 187.03272 133.1
[M+H-H2O]+ 131.06682 123.4
[M+HCOO]- 193.06776 149.5
[M+CH3COO]- 207.08341 170.6
[M+Na-2H]- 169.04423 133.7
[M]+ 148.06901 126.2
[M]- 148.07011 126.2
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