CID 44558146

2-chloro-6-(trifluoromethyl)benzeneboronic acid

Structural Information

Molecular Formula
C7H5BClF3O2
SMILES
B(C1=C(C=CC=C1Cl)C(F)(F)F)(O)O
InChI
InChI=1S/C7H5BClF3O2/c9-5-3-1-2-4(7(10,11)12)6(5)8(13)14/h1-3,13-14H
InChIKey
ARGDVPMTQZNUBG-UHFFFAOYSA-N
Compound name
[2-chloro-6-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

224.00232 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00960 135.9
[M+Na]+ 246.99154 146.0
[M-H]- 222.99504 133.7
[M+NH4]+ 242.03614 154.2
[M+K]+ 262.96548 141.3
[M+H-H2O]+ 206.99958 130.0
[M+HCOO]- 269.00052 148.2
[M+CH3COO]- 283.01617 181.5
[M+Na-2H]- 244.97699 140.0
[M]+ 224.00177 132.7
[M]- 224.00287 132.7
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