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 135.0
[M+Na]+ 232.01633 144.7
[M-H]- 208.01983 130.2
[M+NH4]+ 227.06093 151.4
[M+K]+ 247.99027 141.6
[M+H-H2O]+ 192.02437 126.3
[M+HCOO]- 254.02531 149.6
[M+CH3COO]- 268.04096 180.2
[M+Na-2H]- 230.00178 139.2
[M]+ 209.02656 128.5
[M]- 209.02766 128.5
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