CID 3249312

3-ethoxycarbonylphenylboronic acid

Structural Information

Molecular Formula
C9H11BO4
SMILES
B(C1=CC(=CC=C1)C(=O)OCC)(O)O
InChI
InChI=1S/C9H11BO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6,12-13H,2H2,1H3
InChIKey
REHVCPNQQBDOJJ-UHFFFAOYSA-N
Compound name
(3-ethoxycarbonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

745
Patents

194.07504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08232 140.2
[M+Na]+ 217.06426 150.7
[M+NH4]+ 212.10886 146.7
[M+K]+ 233.03820 146.9
[M-H]- 193.06776 139.8
[M+Na-2H]- 215.04971 144.6
[M]+ 194.07449 141.2
[M]- 194.07559 141.2
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