CID 59415221

1073477-73-2

Structural Information

Molecular Formula
C13H15BF4O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC(F)(F)F)F
InChI
InChI=1S/C13H15BF4O3/c1-11(2)12(3,4)21-14(20-11)9-6-5-8(7-10(9)15)19-13(16,17)18/h5-7H,1-4H3
InChIKey
BREBOCUXUQSDFW-UHFFFAOYSA-N
Compound name
2-[2-fluoro-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

306.10504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11232 175.3
[M+Na]+ 329.09426 182.9
[M+NH4]+ 324.13886 181.4
[M+K]+ 345.06820 177.0
[M-H]- 305.09776 173.7
[M+Na-2H]- 327.07971 178.4
[M]+ 306.10449 176.0
[M]- 306.10559 176.0
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

patents stripe