CID 230478

1,4-benzenediboronic acid

Structural Information

Molecular Formula
C6H8B2O4
SMILES
B(C1=CC=C(C=C1)B(O)O)(O)O
InChI
InChI=1S/C6H8B2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4,9-12H
InChIKey
BODYVHJTUHHINQ-UHFFFAOYSA-N
Compound name
(4-boronophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

2284
Patents

166.06087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06815 130.5
[M+Na]+ 189.05009 137.0
[M-H]- 165.05359 129.1
[M+NH4]+ 184.09469 148.2
[M+K]+ 205.02403 135.1
[M+H-H2O]+ 149.05813 125.7
[M+HCOO]- 211.05907 148.4
[M+CH3COO]- 225.07472 168.2
[M+Na-2H]- 187.03554 134.4
[M]+ 166.06032 127.3
[M]- 166.06142 127.3
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