CID 134715906

2,6-dichloro-4-fluorophenylboronic acid pinacol ester

Structural Information

Molecular Formula
C12H14BCl2FO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2Cl)F)Cl
InChI
InChI=1S/C12H14BCl2FO2/c1-11(2)12(3,4)18-13(17-11)10-8(14)5-7(16)6-9(10)15/h5-6H,1-4H3
InChIKey
ZZOYXDKAGVVLQE-UHFFFAOYSA-N
Compound name
2-(2,6-dichloro-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05208 153.4
[M+Na]+ 313.03402 166.0
[M-H]- 289.03752 160.6
[M+NH4]+ 308.07862 174.4
[M+K]+ 329.00796 162.7
[M+H-H2O]+ 273.04206 150.1
[M+HCOO]- 335.04300 164.0
[M+CH3COO]- 349.05865 199.2
[M+Na-2H]- 311.01947 157.1
[M]+ 290.04425 158.6
[M]- 290.04535 158.6
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.