CID 4197996

2,4,6-trimethoxyphenylboronic acid

Structural Information

Molecular Formula
C9H13BO5
SMILES
B(C1=C(C=C(C=C1OC)OC)OC)(O)O
InChI
InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3
InChIKey
PKLRXZVPEQJTTJ-UHFFFAOYSA-N
Compound name
(2,4,6-trimethoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

212.0856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.092876 141.5
[M+Na]+ 235.074818 149.8
[M-H]- 211.078324 143.2
[M+NH4]+ 230.119423 159.4
[M+K]+ 251.048758 149.4
[M+H-H2O]+ 195.082860 136.0
[M+HCOO]- 257.083801 162.9
[M+CH3COO]- 271.099451 183.3
[M+Na-2H]- 233.060266 145.2
[M]+ 212.08505142 145.8
[M]- 212.08614858 145.8
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