CID 151253

4-biphenylboronic acid

Structural Information

Molecular Formula
C12H11BO2
SMILES
B(C1=CC=C(C=C1)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
InChIKey
XPEIJWZLPWNNOK-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

6729
Patents

198.0852 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09248 140.7
[M+Na]+ 221.07442 147.6
[M-H]- 197.07792 145.0
[M+NH4]+ 216.11902 158.4
[M+K]+ 237.04836 143.9
[M+H-H2O]+ 181.08246 134.3
[M+HCOO]- 243.08340 162.0
[M+CH3COO]- 257.09905 179.4
[M+Na-2H]- 219.05987 146.8
[M]+ 198.08465 138.3
[M]- 198.08575 138.3
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