CID 56737676

2-hydroxy-6-trifluoromethylphenylboronic acid

Structural Information

Molecular Formula
C7H6BF3O3
SMILES
B(C1=C(C=CC=C1O)C(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)4-2-1-3-5(12)6(4)8(13)14/h1-3,12-14H
InChIKey
FNBWZLJDEFUGAL-UHFFFAOYSA-N
Compound name
[2-hydroxy-6-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

206.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04349 143.7
[M+Na]+ 229.02543 151.4
[M+NH4]+ 224.07003 148.0
[M+K]+ 244.99937 148.6
[M-H]- 205.02893 138.7
[M+Na-2H]- 227.01088 145.9
[M]+ 206.03566 142.9
[M]- 206.03676 142.9
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