CID 18533253

Benzene-1,3,5-triyltriboronic acid

Structural Information

Molecular Formula
C6H9B3O6
SMILES
B(C1=CC(=CC(=C1)B(O)O)B(O)O)(O)O
InChI
InChI=1S/C6H9B3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,10-15H
InChIKey
NAIUYXOLMQYLIG-UHFFFAOYSA-N
Compound name
(3,5-diboronophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

210.06783 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07511 139.1
[M+Na]+ 233.05705 144.6
[M-H]- 209.06055 135.0
[M+NH4]+ 228.10165 153.6
[M+K]+ 249.03099 142.9
[M+H-H2O]+ 193.06509 134.2
[M+HCOO]- 255.06603 153.0
[M+CH3COO]- 269.08168 173.2
[M+Na-2H]- 231.04250 139.7
[M]+ 210.06728 135.2
[M]- 210.06838 135.2
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