CID 2774698

2-fluoro-4-biphenylboronic acid

Structural Information

Molecular Formula
C12H10BFO2
SMILES
B(C1=CC(=C(C=C1)C2=CC=CC=C2)F)(O)O
InChI
InChI=1S/C12H10BFO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8,15-16H
InChIKey
BWYWXDFYJSIUBE-UHFFFAOYSA-N
Compound name
(3-fluoro-4-phenylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

216.07579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08307 143.3
[M+Na]+ 239.06501 151.1
[M-H]- 215.06851 146.5
[M+NH4]+ 234.10961 160.4
[M+K]+ 255.03895 147.0
[M+H-H2O]+ 199.07305 136.0
[M+HCOO]- 261.07399 163.5
[M+CH3COO]- 275.08964 183.2
[M+Na-2H]- 237.05046 148.0
[M]+ 216.07524 140.2
[M]- 216.07634 140.2
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