CID 49761676

Potassium (3-(tert-butoxy)-3-oxopropyl)trifluoroborate

Structural Information

Molecular Formula
C7H13BF3O2
SMILES
[B-](CCC(=O)OC(C)(C)C)(F)(F)F
InChI
InChI=1S/C7H13BF3O2/c1-7(2,3)13-6(12)4-5-8(9,10)11/h4-5H2,1-3H3/q-1
InChIKey
UVLUMHHDDWOQGG-UHFFFAOYSA-N
Compound name
trifluoro-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

197.09607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10335 138.3
[M+Na]+ 220.08529 145.7
[M-H]- 196.08879 133.3
[M+NH4]+ 215.12989 157.4
[M+K]+ 236.05923 145.4
[M+H-H2O]+ 180.09333 134.5
[M+HCOO]- 242.09427 154.5
[M+CH3COO]- 256.10992 181.2
[M+Na-2H]- 218.07074 142.4
[M]+ 197.09552 134.6
[M]- 197.09662 134.6
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.