CID 17750051

4-fluoro-3-(trifluoromethyl)benzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

570
Patents

208.03188 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.039156 134.9
[M+Na]+ 231.021098 144.2
[M-H]- 207.024604 131.3
[M+NH4]+ 226.065703 152.7
[M+K]+ 246.995038 141.0
[M+H-H2O]+ 191.029140 127.0
[M+HCOO]- 253.030081 150.4
[M+CH3COO]- 267.045731 180.5
[M+Na-2H]- 229.006546 138.5
[M]+ 208.03133142 128.2
[M]- 208.03242858 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

literature stripe

Patent stripe

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