CID 67053979

(4-fluoro-3-(trifluoromethoxy)phenyl)boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

224.02678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03406 150.5
[M+Na]+ 247.01600 157.3
[M+NH4]+ 242.06060 154.0
[M+K]+ 262.98994 154.2
[M-H]- 223.01950 144.6
[M+Na-2H]- 245.00145 152.0
[M]+ 224.02623 149.3
[M]- 224.02733 149.3
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

patents stripe