CID 44717610

2-fluoro-5-(trifluoromethoxy)benzeneboronic acid

Structural Information

Molecular Formula
C7H5BF4O3
SMILES
B(C1=C(C=CC(=C1)OC(F)(F)F)F)(O)O
InChI
InChI=1S/C7H5BF4O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey
NGTLLTDDJHXHQE-UHFFFAOYSA-N
Compound name
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

224.02678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03406 137.9
[M+Na]+ 247.01600 147.1
[M-H]- 223.01950 134.3
[M+NH4]+ 242.06060 155.0
[M+K]+ 262.98994 144.5
[M+H-H2O]+ 207.02404 129.7
[M+HCOO]- 269.02498 153.7
[M+CH3COO]- 283.04063 182.6
[M+Na-2H]- 245.00145 141.6
[M]+ 224.02623 132.7
[M]- 224.02733 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