CID 57467637

2-(5-(difluoromethyl)-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H16BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(F)F)F
InChI
InChI=1S/C13H16BF3O2/c1-12(2)13(3,4)19-14(18-12)9-7-8(11(16)17)5-6-10(9)15/h5-7,11H,1-4H3
InChIKey
ZDKQLRJOEGGDGX-UHFFFAOYSA-N
Compound name
2-[5-(difluoromethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

272.11954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12682 153.0
[M+Na]+ 295.10876 163.4
[M-H]- 271.11226 158.1
[M+NH4]+ 290.15336 173.2
[M+K]+ 311.08270 162.8
[M+H-H2O]+ 255.11680 146.5
[M+HCOO]- 317.11774 169.9
[M+CH3COO]- 331.13339 199.2
[M+Na-2H]- 293.09421 155.7
[M]+ 272.11899 152.5
[M]- 272.12009 152.5
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