CID 72221193

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

Structural Information

Molecular Formula
C14H17BF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(C(F)F)(F)F
InChI
InChI=1S/C14H17BF4O3/c1-12(2)13(3,4)22-15(21-12)9-6-5-7-10(8-9)20-14(18,19)11(16)17/h5-8,11H,1-4H3
InChIKey
RMMWBQSNLSZMRD-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12798 164.0
[M+Na]+ 343.10992 173.4
[M-H]- 319.11342 167.4
[M+NH4]+ 338.15452 181.8
[M+K]+ 359.08386 173.3
[M+H-H2O]+ 303.11796 156.7
[M+HCOO]- 365.11890 178.1
[M+CH3COO]- 379.13455 206.2
[M+Na-2H]- 341.09537 167.5
[M]+ 320.12015 163.1
[M]- 320.12125 163.1
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.