CID 4366886

(3-vinylphenyl)boronic 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

375
Patents

148.06956 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.076836 128.2
[M+Na]+ 171.058778 135.8
[M-H]- 147.062284 129.4
[M+NH4]+ 166.103383 148.3
[M+K]+ 187.032718 133.1
[M+H-H2O]+ 131.066820 123.4
[M+HCOO]- 193.067761 149.5
[M+CH3COO]- 207.083411 170.6
[M+Na-2H]- 169.044226 133.7
[M]+ 148.06901142 126.2
[M]- 148.07010858 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