CID 121229114

1688686-12-5

Structural Information

Molecular Formula
C14H18BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(F)(F)F)OC
InChI
InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-8-9(14(16,17)18)6-7-11(10)19-5/h6-8H,1-5H3
InChIKey
YYYBQKWUMWLBNY-UHFFFAOYSA-N
Compound name
2-[2-methoxy-5-(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 159.6
[M+Na]+ 325.11932 170.2
[M-H]- 301.12282 164.8
[M+NH4]+ 320.16392 178.8
[M+K]+ 341.09326 170.1
[M+H-H2O]+ 285.12736 153.5
[M+HCOO]- 347.12830 175.8
[M+CH3COO]- 361.14395 203.2
[M+Na-2H]- 323.10477 164.4
[M]+ 302.12955 161.0
[M]- 302.13065 161.0
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

No patent data available for this compound.