CID 2760604

325142-82-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

272.11954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12682 152.8
[M+Na]+ 295.10876 163.1
[M-H]- 271.11226 157.9
[M+NH4]+ 290.15336 173.0
[M+K]+ 311.08270 162.6
[M+H-H2O]+ 255.11680 146.6
[M+HCOO]- 317.11774 169.2
[M+CH3COO]- 331.13339 196.9
[M+Na-2H]- 293.09421 158.4
[M]+ 272.11899 151.9
[M]- 272.12009 151.9
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