CID 2734608

4,4'-biphenyldiboronic acid

Structural Information

Molecular Formula
C12H12B2O4
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O
InChI
InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
InChIKey
SLHKDOGTVUCXKX-UHFFFAOYSA-N
Compound name
[4-(4-boronophenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

642
Patents

242.09216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09944 150.3
[M+Na]+ 265.08138 156.2
[M-H]- 241.08488 152.0
[M+NH4]+ 260.12598 164.7
[M+K]+ 281.05532 152.6
[M+H-H2O]+ 225.08942 144.0
[M+HCOO]- 287.09036 167.6
[M+CH3COO]- 301.10601 183.5
[M+Na-2H]- 263.06683 153.0
[M]+ 242.09161 147.2
[M]- 242.09271 147.2
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