CID 16217169

2-fluoro-3-(trifluoromethyl)benzeneboronic acid

Structural Information

Molecular Formula
C7H5BF4O2
SMILES
B(C1=C(C(=CC=C1)C(F)(F)F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-6-4(7(10,11)12)2-1-3-5(6)8(13)14/h1-3,13-14H
InChIKey
PKARAEQMGHJHMY-UHFFFAOYSA-N
Compound name
[2-fluoro-3-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

208.03188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03916 134.9
[M+Na]+ 231.02110 144.2
[M-H]- 207.02460 131.3
[M+NH4]+ 226.06570 152.7
[M+K]+ 246.99504 141.0
[M+H-H2O]+ 191.02914 127.0
[M+HCOO]- 253.03008 150.4
[M+CH3COO]- 267.04573 180.5
[M+Na-2H]- 229.00655 138.5
[M]+ 208.03133 128.2
[M]- 208.03243 128.2
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