CID 134715485

3-chloro-2-hydroxy-4-(trifluoromethyl)phenylboronic acid

Structural Information

Molecular Formula
C7H5BClF3O3
SMILES
B(C1=C(C(=C(C=C1)C(F)(F)F)Cl)O)(O)O
InChI
InChI=1S/C7H5BClF3O3/c9-5-3(7(10,11)12)1-2-4(6(5)13)8(14)15/h1-2,13-15H
InChIKey
LLLQNBPYEREKFI-UHFFFAOYSA-N
Compound name
[3-chloro-2-hydroxy-4-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.99724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00452 138.6
[M+Na]+ 262.98646 149.0
[M-H]- 238.98996 135.3
[M+NH4]+ 258.03106 155.7
[M+K]+ 278.96040 144.1
[M+H-H2O]+ 222.99450 133.0
[M+HCOO]- 284.99544 149.6
[M+CH3COO]- 299.01109 182.4
[M+Na-2H]- 260.97191 141.6
[M]+ 239.99669 135.3
[M]- 239.99779 135.3
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

No patent data available for this compound.