CID 59842435

(4,5-difluoro-2-(trifluoromethoxy)phenyl)boronic acid

Structural Information

Molecular Formula
C7H4BF5O3
SMILES
B(C1=CC(=C(C=C1OC(F)(F)F)F)F)(O)O
InChI
InChI=1S/C7H4BF5O3/c9-4-1-3(8(14)15)6(2-5(4)10)16-7(11,12)13/h1-2,14-15H
InChIKey
MLOJJAQBQIXTBZ-UHFFFAOYSA-N
Compound name
[4,5-difluoro-2-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.01736 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02464 140.2
[M+Na]+ 265.00658 150.3
[M-H]- 241.01008 135.6
[M+NH4]+ 260.05118 156.7
[M+K]+ 280.98052 147.4
[M+H-H2O]+ 225.01462 131.3
[M+HCOO]- 287.01556 154.8
[M+CH3COO]- 301.03121 186.8
[M+Na-2H]- 262.99203 142.6
[M]+ 242.01681 134.1
[M]- 242.01791 134.1
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