CID 5003684

1-phenylvinylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

534
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 130.0
[M+Na]+ 171.05878 141.4
[M+NH4]+ 166.10338 138.0
[M+K]+ 187.03272 136.5
[M-H]- 147.06228 130.7
[M+Na-2H]- 169.04423 135.9
[M]+ 148.06901 131.6
[M]- 148.07011 131.6
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