CID 45790688

3-hydroxy-5-(trifluoromethyl)benzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

206.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04349 135.7
[M+Na]+ 229.02543 144.4
[M-H]- 205.02893 132.1
[M+NH4]+ 224.07003 152.9
[M+K]+ 244.99937 141.4
[M+H-H2O]+ 189.03347 128.8
[M+HCOO]- 251.03441 151.0
[M+CH3COO]- 265.05006 177.3
[M+Na-2H]- 227.01088 139.5
[M]+ 206.03566 129.9
[M]- 206.03676 129.9
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