CID 122164132

2410440-14-9

Structural Information

Molecular Formula
C12H18BF3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC(C2)(C3)C(F)(F)F
InChI
InChI=1S/C12H18BF3O2/c1-8(2)9(3,4)18-13(17-8)11-5-10(6-11,7-11)12(14,15)16/h5-7H2,1-4H3
InChIKey
MPDFIVMYKPINPF-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14248 165.7
[M+Na]+ 285.12442 171.0
[M-H]- 261.12792 170.2
[M+NH4]+ 280.16902 172.4
[M+K]+ 301.09836 176.0
[M+H-H2O]+ 245.13246 156.1
[M+HCOO]- 307.13340 173.0
[M+CH3COO]- 321.14905 219.7
[M+Na-2H]- 283.10987 171.4
[M]+ 262.13465 189.2
[M]- 262.13575 189.2
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.