CID 72221204

4,4,5,5-tetramethyl-2-(2,3,5-trifluorophenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H14BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)F
InChI
InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6H,1-4H3
InChIKey
YVQGFNPGCBWGPM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,3,5-trifluorophenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10388 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11116 146.8
[M+Na]+ 281.09310 158.9
[M-H]- 257.09660 152.5
[M+NH4]+ 276.13770 168.0
[M+K]+ 297.06704 158.0
[M+H-H2O]+ 241.10114 140.6
[M+HCOO]- 303.10208 165.0
[M+CH3COO]- 317.11773 196.5
[M+Na-2H]- 279.07855 150.8
[M]+ 258.10333 147.0
[M]- 258.10443 147.0
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.