CID 154814243

4,4,5,5-tetramethyl-2-(3-(1,2,2-trifluorocyclopropyl)phenyl)-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CC3(F)F)F
InChI
InChI=1S/C15H18BF3O2/c1-12(2)13(3,4)21-16(20-12)11-7-5-6-10(8-11)14(17)9-15(14,18)19/h5-8H,9H2,1-4H3
InChIKey
KIUIAHGNUFQFEN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(1,2,2-trifluorocyclopropyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14248 148.9
[M+Na]+ 321.12442 161.5
[M-H]- 297.12792 158.3
[M+NH4]+ 316.16902 166.8
[M+K]+ 337.09836 163.0
[M+H-H2O]+ 281.13246 143.7
[M+HCOO]- 343.13340 164.9
[M+CH3COO]- 357.14905 204.9
[M+Na-2H]- 319.10987 155.2
[M]+ 298.13465 152.7
[M]- 298.13575 152.7
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.