CID 137945486

4,4,5,5-tetramethyl-2-[3-(3,3,3-trifluoropropyl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H22BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)CCC(F)(F)F
InChI
InChI=1S/C14H22BF3O2/c1-10(2)11(3,4)20-15(19-10)13-7-12(8-13,9-13)5-6-14(16,17)18/h5-9H2,1-4H3
InChIKey
XRRMRUUWZCKWHO-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(3,3,3-trifluoropropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1665 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17378 173.8
[M+Na]+ 313.15572 178.4
[M-H]- 289.15922 178.0
[M+NH4]+ 308.20032 179.6
[M+K]+ 329.12966 183.0
[M+H-H2O]+ 273.16376 163.8
[M+HCOO]- 335.16470 180.5
[M+CH3COO]- 349.18035 224.0
[M+Na-2H]- 311.14117 178.6
[M]+ 290.16595 197.7
[M]- 290.16705 197.7
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.