CID 57582315

1079402-24-6

Structural Information

Molecular Formula
C14H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC(F)(F)F
InChI
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)11-8-6-5-7-10(11)9-14(16,17)18/h5-8H,9H2,1-4H3
InChIKey
VCDXTAOKTGFVNM-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-(2,2,2-trifluoroethyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

286.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14248 157.6
[M+Na]+ 309.12442 167.4
[M-H]- 285.12792 162.4
[M+NH4]+ 304.16902 177.2
[M+K]+ 325.09836 166.7
[M+H-H2O]+ 269.13246 151.2
[M+HCOO]- 331.13340 173.6
[M+CH3COO]- 345.14905 199.8
[M+Na-2H]- 307.10987 162.6
[M]+ 286.13465 157.0
[M]- 286.13575 157.0
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