CID 131676860

4-acetyl-2,3-difluorophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C14H17BF2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)C(=O)C)F)F
InChI
InChI=1S/C14H17BF2O3/c1-8(18)9-6-7-10(12(17)11(9)16)15-19-13(2,3)14(4,5)20-15/h6-7H,1-5H3
InChIKey
SBFARIKWYCEUPJ-UHFFFAOYSA-N
Compound name
1-[2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13115 154.5
[M+Na]+ 305.11309 165.5
[M-H]- 281.11659 161.3
[M+NH4]+ 300.15769 174.6
[M+K]+ 321.08703 165.2
[M+H-H2O]+ 265.12113 149.2
[M+HCOO]- 327.12207 172.5
[M+CH3COO]- 341.13772 202.0
[M+Na-2H]- 303.09854 157.1
[M]+ 282.12332 156.8
[M]- 282.12442 156.8
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

No patent data available for this compound.