CID 44119577

4-acetoxybenzeneboronic acid

Structural Information

Molecular Formula
C8H9BO4
SMILES
B(C1=CC=C(C=C1)OC(=O)C)(O)O
InChI
InChI=1S/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3
InChIKey
VILXJXDXZGKJLU-UHFFFAOYSA-N
Compound name
(4-acetyloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

180.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06667 134.4
[M+Na]+ 203.04861 141.7
[M-H]- 179.05211 135.7
[M+NH4]+ 198.09321 153.1
[M+K]+ 219.02255 140.6
[M+H-H2O]+ 163.05665 129.2
[M+HCOO]- 225.05759 155.2
[M+CH3COO]- 239.07324 175.1
[M+Na-2H]- 201.03406 138.7
[M]+ 180.05884 134.7
[M]- 180.05994 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe