CID 54758868

4-(tert-butyldimethylsilyloxy)-2,3-difluorophenylboronic acid

Structural Information

Molecular Formula
C12H19BF2O3Si
SMILES
B(C1=C(C(=C(C=C1)O[Si](C)(C)C(C)(C)C)F)F)(O)O
InChI
InChI=1S/C12H19BF2O3Si/c1-12(2,3)19(4,5)18-9-7-6-8(13(16)17)10(14)11(9)15/h6-7,16-17H,1-5H3
InChIKey
DODXXNHIJRLFAF-UHFFFAOYSA-N
Compound name
[4-[tert-butyl(dimethyl)silyl]oxy-2,3-difluorophenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

288.11646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12374 160.6
[M+Na]+ 311.10568 168.4
[M-H]- 287.10918 159.4
[M+NH4]+ 306.15028 176.4
[M+K]+ 327.07962 166.1
[M+H-H2O]+ 271.11372 154.2
[M+HCOO]- 333.11466 174.9
[M+CH3COO]- 347.13031 197.0
[M+Na-2H]- 309.09113 162.7
[M]+ 288.11591 159.9
[M]- 288.11701 159.9
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