CID 59643837

769937-40-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

226.02245 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02973 137.2
[M+Na]+ 249.01167 147.4
[M-H]- 225.01517 132.6
[M+NH4]+ 244.05627 154.4
[M+K]+ 264.98561 143.9
[M+H-H2O]+ 209.01971 128.5
[M+HCOO]- 271.02065 151.6
[M+CH3COO]- 285.03630 184.7
[M+Na-2H]- 246.99712 139.5
[M]+ 226.02190 129.6
[M]- 226.02300 129.6
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