CID 57497337

1190235-39-2

Structural Information

Molecular Formula
C14H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H18BF3O2/c1-12(2)13(3,4)20-15(19-12)9-10-6-5-7-11(8-10)14(16,17)18/h5-8H,9H2,1-4H3
InChIKey
JMTFZFYCYAHNQN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

286.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14248 157.6
[M+Na]+ 309.12442 167.4
[M-H]- 285.12792 162.4
[M+NH4]+ 304.16902 177.2
[M+K]+ 325.09836 166.7
[M+H-H2O]+ 269.13246 151.2
[M+HCOO]- 331.13340 173.6
[M+CH3COO]- 345.14905 199.8
[M+Na-2H]- 307.10987 162.6
[M]+ 286.13465 157.0
[M]- 286.13575 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe