CID 123326637

(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)boronic acid

Structural Information

Molecular Formula
C12H9BF3NO3
SMILES
B(C1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C12H9BF3NO3/c14-12(15,16)8-1-6-11(17-7-8)20-10-4-2-9(3-5-10)13(18)19/h1-7,18-19H
InChIKey
HFCUSBQYXVNPIO-UHFFFAOYSA-N
Compound name
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.06274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07002 157.0
[M+Na]+ 306.05196 165.3
[M-H]- 282.05546 156.3
[M+NH4]+ 301.09656 170.0
[M+K]+ 322.02590 161.1
[M+H-H2O]+ 266.06000 147.1
[M+HCOO]- 328.06094 172.3
[M+CH3COO]- 342.07659 193.2
[M+Na-2H]- 304.03741 161.4
[M]+ 283.06219 153.0
[M]- 283.06329 153.0
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