CID 65203418

[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Structural Information

Molecular Formula
C8H7BF4O3
SMILES
B(C1=C(C=C(C=C1)OCC(F)(F)F)F)(O)O
InChI
InChI=1S/C8H7BF4O3/c10-7-3-5(16-4-8(11,12)13)1-2-6(7)9(14)15/h1-3,14-15H,4H2
InChIKey
JKJAZJUTJUVASZ-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.04243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04971 142.7
[M+Na]+ 261.03165 151.4
[M-H]- 237.03515 138.9
[M+NH4]+ 256.07625 159.2
[M+K]+ 277.00559 148.6
[M+H-H2O]+ 221.03969 134.3
[M+HCOO]- 283.04063 158.1
[M+CH3COO]- 297.05628 185.6
[M+Na-2H]- 259.01710 145.8
[M]+ 238.04188 137.8
[M]- 238.04298 137.8
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