CID 65204057

2246562-76-3

Structural Information

Molecular Formula
C13H11BClFO3
SMILES
B(C1=C(C=C(C=C1)OCC2=CC(=CC=C2)Cl)F)(O)O
InChI
InChI=1S/C13H11BClFO3/c15-10-3-1-2-9(6-10)8-19-11-4-5-12(14(17)18)13(16)7-11/h1-7,17-18H,8H2
InChIKey
SYHMIJQQCCYSCF-UHFFFAOYSA-N
Compound name
[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0474 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05468 158.2
[M+Na]+ 303.03662 172.1
[M+NH4]+ 298.08122 165.7
[M+K]+ 319.01056 165.3
[M-H]- 279.04012 160.1
[M+Na-2H]- 301.02207 165.6
[M]+ 280.04685 161.0
[M]- 280.04795 161.0
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

No patent data available for this compound.