CID 129946993

1689547-84-9

Structural Information

Molecular Formula
C14H18BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(F)(F)F)OC
InChI
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-6-9(14(16,17)18)8-11(10)19-5/h6-8H,1-5H3
InChIKey
SBFFVWNJNYFDCJ-UHFFFAOYSA-N
Compound name
2-[2-methoxy-4-(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

302.1301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13738 172.2
[M+Na]+ 325.11932 181.1
[M+NH4]+ 320.16392 179.6
[M+K]+ 341.09326 174.9
[M-H]- 301.12282 172.2
[M+Na-2H]- 323.10477 176.5
[M]+ 302.12955 173.6
[M]- 302.13065 173.6
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.