CID 91882927

[6-fluoro-2-(trifluoromethyl)pyridin-3-yl]boronic acid

Structural Information

Molecular Formula
C6H4BF4NO2
SMILES
B(C1=C(N=C(C=C1)F)C(F)(F)F)(O)O
InChI
InChI=1S/C6H4BF4NO2/c8-4-2-1-3(7(13)14)5(12-4)6(9,10)11/h1-2,13-14H
InChIKey
UTYJWVSYJDGQQN-UHFFFAOYSA-N
Compound name
[6-fluoro-2-(trifluoromethyl)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.02711 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03439 146.3
[M+Na]+ 232.01633 153.4
[M+NH4]+ 227.06093 149.7
[M+K]+ 247.99027 150.4
[M-H]- 208.01983 140.2
[M+Na-2H]- 230.00178 148.1
[M]+ 209.02656 145.1
[M]- 209.02766 145.1
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