CID 2760805

4-(trifluorovinyloxyphenyl)boronic acid

Structural Information

Molecular Formula
C8H6BF3O3
SMILES
B(C1=CC=C(C=C1)OC(=C(F)F)F)(O)O
InChI
InChI=1S/C8H6BF3O3/c10-7(11)8(12)15-6-3-1-5(2-4-6)9(13)14/h1-4,13-14H
InChIKey
MLZDWIPSGNEJKY-UHFFFAOYSA-N
Compound name
[4-(1,2,2-trifluoroethenoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04349 139.4
[M+Na]+ 241.02543 146.5
[M-H]- 217.02893 136.4
[M+NH4]+ 236.07003 156.1
[M+K]+ 256.99937 144.0
[M+H-H2O]+ 201.03347 131.4
[M+HCOO]- 263.03441 155.7
[M+CH3COO]- 277.05006 182.1
[M+Na-2H]- 239.01088 140.5
[M]+ 218.03566 133.9
[M]- 218.03676 133.9
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