CID 43327937

[5-fluoro-2-(pyridin-2-ylmethoxy)phenyl]boronic acid

Structural Information

Molecular Formula
C12H11BFNO3
SMILES
B(C1=C(C=CC(=C1)F)OCC2=CC=CC=N2)(O)O
InChI
InChI=1S/C12H11BFNO3/c14-9-4-5-12(11(7-9)13(16)17)18-8-10-3-1-2-6-15-10/h1-7,16-17H,8H2
InChIKey
KSVNWDKKSZTPLR-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(pyridin-2-ylmethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.08888 151.0
[M+Na]+ 270.07082 158.6
[M-H]- 246.07432 152.7
[M+NH4]+ 265.11542 165.4
[M+K]+ 286.04476 154.9
[M+H-H2O]+ 230.07886 142.4
[M+HCOO]- 292.07980 170.0
[M+CH3COO]- 306.09545 188.0
[M+Na-2H]- 268.05627 155.7
[M]+ 247.08105 149.8
[M]- 247.08215 149.8
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