CID 16218360

(2,4-diethoxyphenyl)boronic acid

Structural Information

Molecular Formula
C10H15BO4
SMILES
B(C1=C(C=C(C=C1)OCC)OCC)(O)O
InChI
InChI=1S/C10H15BO4/c1-3-14-8-5-6-9(11(12)13)10(7-8)15-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKey
KTSBUFFGNADTOT-UHFFFAOYSA-N
Compound name
(2,4-diethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

210.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11362 144.2
[M+Na]+ 233.09556 151.3
[M-H]- 209.09906 145.3
[M+NH4]+ 228.14016 162.0
[M+K]+ 249.06950 149.9
[M+H-H2O]+ 193.10360 138.5
[M+HCOO]- 255.10454 165.0
[M+CH3COO]- 269.12019 182.9
[M+Na-2H]- 231.08101 147.9
[M]+ 210.10579 147.0
[M]- 210.10689 147.0
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