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

44
Patents

298.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14248 160.6
[M+Na]+ 321.12442 170.1
[M-H]- 297.12792 165.4
[M+NH4]+ 316.16902 179.6
[M+K]+ 337.09836 169.0
[M+H-H2O]+ 281.13246 154.4
[M+HCOO]- 343.13340 175.5
[M+CH3COO]- 357.14905 202.9
[M+Na-2H]- 319.10987 164.1
[M]+ 298.13465 159.1
[M]- 298.13575 159.1
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