CID 138987177

2-chloro-3,6-difluorophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C12H14BClF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2Cl)F)F
InChI
InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)9-7(15)5-6-8(16)10(9)14/h5-6H,1-4H3
InChIKey
MSWLHJPECHYYTK-UHFFFAOYSA-N
Compound name
2-(2-chloro-3,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07434 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08162 149.8
[M+Na]+ 297.06356 162.5
[M-H]- 273.06706 156.6
[M+NH4]+ 292.10816 171.3
[M+K]+ 313.03750 160.1
[M+H-H2O]+ 257.07160 145.2
[M+HCOO]- 319.07254 164.6
[M+CH3COO]- 333.08819 197.4
[M+Na-2H]- 295.04901 153.9
[M]+ 274.07379 153.1
[M]- 274.07489 153.1
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.