CID 68852112

[3-(2,2,2-trifluoroethyl)phenyl]boronic acid

Structural Information

Molecular Formula
C8H8BF3O2
SMILES
B(C1=CC(=CC=C1)CC(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O2/c10-8(11,12)5-6-2-1-3-7(4-6)9(13)14/h1-4,13-14H,5H2
InChIKey
FAPWKTBQRHIKJJ-UHFFFAOYSA-N
Compound name
[3-(2,2,2-trifluoroethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.05695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06423 144.9
[M+Na]+ 227.04617 153.0
[M+NH4]+ 222.09077 149.9
[M+K]+ 243.02011 149.0
[M-H]- 203.04967 140.7
[M+Na-2H]- 225.03162 148.0
[M]+ 204.05640 144.5
[M]- 204.05750 144.5
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