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]+ 241.004516 138.6
[M+Na]+ 262.986458 149.0
[M-H]- 238.989964 135.3
[M+NH4]+ 258.031063 155.7
[M+K]+ 278.960398 144.1
[M+H-H2O]+ 222.994500 133.0
[M+HCOO]- 284.995441 149.6
[M+CH3COO]- 299.011091 182.4
[M+Na-2H]- 260.971906 141.6
[M]+ 239.99669142 135.3
[M]- 239.99778858 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.