CID 81526638

2246856-26-6

Structural Information

Molecular Formula
C14H14BFO3
SMILES
B(C1=C(C=C(C=C1)F)OCCC2=CC=CC=C2)(O)O
InChI
InChI=1S/C14H14BFO3/c16-12-6-7-13(15(17)18)14(10-12)19-9-8-11-4-2-1-3-5-11/h1-7,10,17-18H,8-9H2
InChIKey
YJPWTOOGOWDKRE-UHFFFAOYSA-N
Compound name
[4-fluoro-2-(2-phenylethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10928 158.7
[M+Na]+ 283.09122 171.3
[M+NH4]+ 278.13582 165.8
[M+K]+ 299.06516 164.7
[M-H]- 259.09472 160.5
[M+Na-2H]- 281.07667 165.9
[M]+ 260.10145 160.9
[M]- 260.10255 160.9
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.