CID 57506588

2-[3-(1,1-difluoroethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C(C)(F)F)F
InChI
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)10-8-6-7-9(11(10)16)14(5,17)18/h6-8H,1-5H3
InChIKey
WDOCGTGUAPLBPV-UHFFFAOYSA-N
Compound name
2-[3-(1,1-difluoroethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14248 156.0
[M+Na]+ 309.12442 166.7
[M-H]- 285.12792 161.3
[M+NH4]+ 304.16902 175.9
[M+K]+ 325.09836 166.0
[M+H-H2O]+ 269.13246 150.0
[M+HCOO]- 331.13340 172.1
[M+CH3COO]- 345.14905 201.7
[M+Na-2H]- 307.10987 160.7
[M]+ 286.13465 156.0
[M]- 286.13575 156.0
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

patents stripe