CID 2783251

[2-chloro-4-(trifluoromethyl)phenyl]boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

324
Patents

224.00232 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.009596 135.9
[M+Na]+ 246.991538 146.0
[M-H]- 222.995044 133.7
[M+NH4]+ 242.036143 154.2
[M+K]+ 262.965478 141.3
[M+H-H2O]+ 206.999580 130.0
[M+HCOO]- 269.000521 148.2
[M+CH3COO]- 283.016171 181.5
[M+Na-2H]- 244.976986 140.0
[M]+ 224.00177142 132.7
[M]- 224.00286858 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