CID 44754759

4-hydroxy-2-(trifluoromethyl)phenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

206.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.043486 135.7
[M+Na]+ 229.025428 144.4
[M-H]- 205.028934 132.1
[M+NH4]+ 224.070033 152.9
[M+K]+ 244.999368 141.4
[M+H-H2O]+ 189.033470 128.8
[M+HCOO]- 251.034411 151.0
[M+CH3COO]- 265.050061 177.3
[M+Na-2H]- 227.010876 139.5
[M]+ 206.03566142 129.9
[M]- 206.03675858 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