CID 53216360

1218790-57-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe