CID 5003684

(1-phenylvinyl)boronic 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

801
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07684 129.1
[M+Na]+ 171.05878 135.5
[M-H]- 147.06228 130.0
[M+NH4]+ 166.10338 148.8
[M+K]+ 187.03272 133.2
[M+H-H2O]+ 131.06682 124.1
[M+HCOO]- 193.06776 149.4
[M+CH3COO]- 207.08341 170.3
[M+Na-2H]- 169.04423 134.0
[M]+ 148.06901 126.1
[M]- 148.07011 126.1
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