CID 22065121

503309-10-2

Structural Information

Molecular Formula
C7H5BF4O3
SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)F)(O)O
InChI
InChI=1S/C7H5BF4O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChIKey
YQMMVZVQAHYXFZ-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

224.02678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.034056 137.9
[M+Na]+ 247.015998 147.1
[M-H]- 223.019504 134.3
[M+NH4]+ 242.060603 155.0
[M+K]+ 262.989938 144.5
[M+H-H2O]+ 207.024040 129.7
[M+HCOO]- 269.024981 153.7
[M+CH3COO]- 283.040631 182.6
[M+Na-2H]- 245.001446 141.6
[M]+ 224.02623142 132.7
[M]- 224.02732858 132.7
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