CID 81526638

[4-fluoro-2-(2-phenylethoxy)phenyl]boronic acid

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 155.8
[M+Na]+ 283.09122 162.6
[M-H]- 259.09472 158.6
[M+NH4]+ 278.13582 171.1
[M+K]+ 299.06516 158.6
[M+H-H2O]+ 243.09926 147.8
[M+HCOO]- 305.10020 175.5
[M+CH3COO]- 319.11585 191.3
[M+Na-2H]- 281.07667 159.4
[M]+ 260.10145 154.9
[M]- 260.10255 154.9
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.