CID 16218040

871126-28-2

Structural Information

Molecular Formula
C9H9BF4O3
SMILES
B(C1=C(C(=C(C(=C1F)F)OC(C)C)F)F)(O)O
InChI
InChI=1S/C9H9BF4O3/c1-3(2)17-9-7(13)5(11)4(10(15)16)6(12)8(9)14/h3,15-16H,1-2H3
InChIKey
YOXGBYWSEKQTAW-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.05809 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06537 145.5
[M+Na]+ 275.04731 155.8
[M-H]- 251.05081 142.4
[M+NH4]+ 270.09191 162.1
[M+K]+ 291.02125 153.0
[M+H-H2O]+ 235.05535 137.2
[M+HCOO]- 297.05629 161.1
[M+CH3COO]- 311.07194 193.6
[M+Na-2H]- 273.03276 144.1
[M]+ 252.05754 142.2
[M]- 252.05864 142.2
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

patents stripe