CID 45789918

6-(trifluoromethoxy)pyridine-3-boronic acid

Structural Information

Molecular Formula
C6H5BF3NO3
SMILES
B(C1=CN=C(C=C1)OC(F)(F)F)(O)O
InChI
InChI=1S/C6H5BF3NO3/c8-6(9,10)14-5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChIKey
UTNFOSHVMVOKPG-UHFFFAOYSA-N
Compound name
[6-(trifluoromethoxy)pyridin-3-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

207.03146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03874 135.6
[M+Na]+ 230.02068 144.2
[M-H]- 206.02418 131.7
[M+NH4]+ 225.06528 151.8
[M+K]+ 245.99462 142.1
[M+H-H2O]+ 190.02872 127.4
[M+HCOO]- 252.02966 151.5
[M+CH3COO]- 266.04531 178.2
[M+Na-2H]- 228.00613 141.1
[M]+ 207.03091 131.4
[M]- 207.03201 131.4
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