CID 51342043

2,3-difluoro-4-(trifluoromethyl)benzeneboronic acid

Structural Information

Molecular Formula
C7H4BF5O2
SMILES
B(C1=C(C(=C(C=C1)C(F)(F)F)F)F)(O)O
InChI
InChI=1S/C7H4BF5O2/c9-5-3(7(11,12)13)1-2-4(6(5)10)8(14)15/h1-2,14-15H
InChIKey
KFZQEXGUUYWITP-UHFFFAOYSA-N
Compound name
[2,3-difluoro-4-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.02245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02973 155.9
[M+Na]+ 249.01167 162.0
[M+NH4]+ 244.05627 158.7
[M+K]+ 264.98561 158.6
[M-H]- 225.01517 149.5
[M+Na-2H]- 246.99712 156.5
[M]+ 226.02190 154.5
[M]- 226.02300 154.5
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