CID 86677032

1361046-91-4

Structural Information

Molecular Formula
C15H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H18BF3O2/c1-10(16-20-13(2,3)14(4,5)21-16)11-6-8-12(9-7-11)15(17,18)19/h6-9H,1H2,2-5H3
InChIKey
NGEPDYSRKLLXMJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

298.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14248 173.0
[M+Na]+ 321.12442 181.6
[M+NH4]+ 316.16902 180.5
[M+K]+ 337.09836 175.2
[M-H]- 297.12792 173.1
[M+Na-2H]- 319.10987 177.3
[M]+ 298.13465 174.4
[M]- 298.13575 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe