CID 44119577

177490-82-3

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

57
Patents

180.05939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06667 135.7
[M+Na]+ 203.04861 146.5
[M+NH4]+ 198.09321 142.4
[M+K]+ 219.02255 142.9
[M-H]- 179.05211 135.4
[M+Na-2H]- 201.03406 140.4
[M]+ 180.05884 136.8
[M]- 180.05994 136.8
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