CID 165996582

En300-21663991

Structural Information

Molecular Formula
C15H20BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CC)C(F)(F)F
InChI
InChI=1S/C15H20BF3O2/c1-6-10-7-8-11(15(17,18)19)12(9-10)16-20-13(2,3)14(4,5)21-16/h7-9H,6H2,1-5H3
InChIKey
CCTAHQKLWZNUEL-UHFFFAOYSA-N
Compound name
2-[5-ethyl-2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15813 161.0
[M+Na]+ 323.14007 171.3
[M-H]- 299.14357 166.0
[M+NH4]+ 318.18467 180.3
[M+K]+ 339.11401 170.4
[M+H-H2O]+ 283.14811 154.8
[M+HCOO]- 345.14905 176.7
[M+CH3COO]- 359.16470 204.0
[M+Na-2H]- 321.12552 165.0
[M]+ 300.15030 161.2
[M]- 300.15140 161.2
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

No patent data available for this compound.