CID 53484320

2-[2-(difluoromethoxy)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)OC(F)F
InChI
InChI=1S/C13H16BF3O3/c1-12(2)13(3,4)20-14(19-12)9-6-5-8(15)7-10(9)18-11(16)17/h5-7,11H,1-4H3
InChIKey
AQUNEWWXRQKTHC-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethoxy)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

288.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12175 168.6
[M+Na]+ 311.10369 177.6
[M+NH4]+ 306.14829 176.2
[M+K]+ 327.07763 171.2
[M-H]- 287.10719 169.1
[M+Na-2H]- 309.08914 172.8
[M]+ 288.11392 170.1
[M]- 288.11502 170.1
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