CID 156265

73852-19-4

Structural Information

Molecular Formula
C8H5BF6O2
SMILES
B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI
InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16)17/h1-3,16-17H
InChIKey
BPTABBGLHGBJQR-UHFFFAOYSA-N
Compound name
[3,5-bis(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3332
Patents

258.0287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03598 145.0
[M+Na]+ 281.01792 154.4
[M-H]- 257.02142 139.0
[M+NH4]+ 276.06252 160.7
[M+K]+ 296.99186 150.7
[M+H-H2O]+ 241.02596 135.6
[M+HCOO]- 303.02690 156.4
[M+CH3COO]- 317.04255 189.3
[M+Na-2H]- 279.00337 147.8
[M]+ 258.02815 135.4
[M]- 258.02925 135.4
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