CID 22240224

445303-66-2

Structural Information

Molecular Formula
C14H19BF2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(C)(F)F
InChI
InChI=1S/C14H19BF2O2/c1-12(2)13(3,4)19-15(18-12)11-8-6-7-10(9-11)14(5,16)17/h6-9H,1-5H3
InChIKey
UVFHMOUREPHTCY-UHFFFAOYSA-N
Compound name
2-[3-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

268.14462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15190 162.1
[M+Na]+ 291.13384 172.6
[M+NH4]+ 286.17844 171.5
[M+K]+ 307.10778 165.7
[M-H]- 267.13734 164.5
[M+Na-2H]- 289.11929 168.5
[M]+ 268.14407 164.7
[M]- 268.14517 164.7
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

patents stripe