CID 2734389

128796-39-4

Structural Information

Molecular Formula
C7H6BF3O2
SMILES
B(C1=CC=C(C=C1)C(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O2/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4,12-13H
InChIKey
ALMFIOZYDASRRC-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7207
Patents

190.04129 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04857 140.7
[M+Na]+ 213.03051 149.0
[M+NH4]+ 208.07511 145.9
[M+K]+ 229.00445 145.2
[M-H]- 189.03401 136.5
[M+Na-2H]- 211.01596 144.0
[M]+ 190.04074 140.3
[M]- 190.04184 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe