CID 23005380

4'-methyl-4-biphenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C13H13BO2
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)C)(O)O
InChI
InChI=1S/C13H13BO2/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)14(15)16/h2-9,15-16H,1H3
InChIKey
UVCRLTMCDUXFSL-UHFFFAOYSA-N
Compound name
[4-(4-methylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

212.10086 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.108136 145.0
[M+Na]+ 235.090078 152.4
[M-H]- 211.093584 149.5
[M+NH4]+ 230.134683 162.4
[M+K]+ 251.064018 148.5
[M+H-H2O]+ 195.098120 138.6
[M+HCOO]- 257.099061 166.0
[M+CH3COO]- 271.114711 183.5
[M+Na-2H]- 233.075526 149.8
[M]+ 212.10031142 143.4
[M]- 212.10140858 143.4
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