CID 44717719

2,6-difluorobenzeneboronic acid, pinacol ester

Structural Information

Molecular Formula
C12H15BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3
InChIKey
ADHKLRLGCVHQCG-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

240.11331 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12059 144.6
[M+Na]+ 263.10253 155.7
[M-H]- 239.10603 151.3
[M+NH4]+ 258.14713 166.3
[M+K]+ 279.07647 155.3
[M+H-H2O]+ 223.11057 139.0
[M+HCOO]- 285.11151 163.9
[M+CH3COO]- 299.12716 192.5
[M+Na-2H]- 261.08798 149.7
[M]+ 240.11276 145.5
[M]- 240.11386 145.5
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