CID 2734309

2-acetylphenylboronic acid

Structural Information

Molecular Formula
C8H9BO3
SMILES
B(C1=CC=CC=C1C(=O)C)(O)O
InChI
InChI=1S/C8H9BO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,11-12H,1H3
InChIKey
ZKAOVABYLXQUTI-UHFFFAOYSA-N
Compound name
(2-acetylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

896
Patents

164.06447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07175 131.3
[M+Na]+ 187.05369 138.6
[M-H]- 163.05719 132.6
[M+NH4]+ 182.09829 150.6
[M+K]+ 203.02763 136.9
[M+H-H2O]+ 147.06173 126.3
[M+HCOO]- 209.06267 151.9
[M+CH3COO]- 223.07832 173.6
[M+Na-2H]- 185.03914 135.6
[M]+ 164.06392 130.2
[M]- 164.06502 130.2
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