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

245
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

literature stripe

Patent stripe

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