CID 154809699

4,4,5,5-tetramethyl-2-[3-(1,1,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H18BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(CF)(F)F
InChI
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-6-5-7-11(8-10)19-14(17,18)9-16/h5-8H,9H2,1-4H3
InChIKey
GOVHXOSUEWZXDW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(1,1,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13738 160.7
[M+Na]+ 325.11932 170.3
[M-H]- 301.12282 165.4
[M+NH4]+ 320.16392 179.4
[M+K]+ 341.09326 170.1
[M+H-H2O]+ 285.12736 154.1
[M+HCOO]- 347.12830 176.9
[M+CH3COO]- 361.14395 202.6
[M+Na-2H]- 323.10477 165.9
[M]+ 302.12955 161.7
[M]- 302.13065 161.7
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.