CID 2782667

2,4-bis(trifluoromethyl)phenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1521
Patents

258.0287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.035976 145.0
[M+Na]+ 281.017918 154.4
[M-H]- 257.021424 139.0
[M+NH4]+ 276.062523 160.7
[M+K]+ 296.991858 150.7
[M+H-H2O]+ 241.025960 135.6
[M+HCOO]- 303.026901 156.4
[M+CH3COO]- 317.042551 189.3
[M+Na-2H]- 279.003366 147.8
[M]+ 258.02815142 135.4
[M]- 258.02924858 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