CID 16244482

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

Structural Information

Molecular Formula
C12H10BClO2
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(O)O
InChI
InChI=1S/C12H10BClO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
InChIKey
FVKZNRXWZCBUPY-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

232.04623 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05351 145.9
[M+Na]+ 255.03545 154.6
[M-H]- 231.03895 150.4
[M+NH4]+ 250.08005 163.5
[M+K]+ 271.00939 149.1
[M+H-H2O]+ 215.04349 140.6
[M+HCOO]- 277.04443 162.8
[M+CH3COO]- 291.06008 184.3
[M+Na-2H]- 253.02090 150.9
[M]+ 232.04568 146.3
[M]- 232.04678 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe