CID 146049834

Potassium trifluoro({5-oxaspiro[2.4]heptan-1-yl})boranuide

Structural Information

Molecular Formula
C6H9BF3O
SMILES
[B-](C1CC12CCOC2)(F)(F)F
InChI
InChI=1S/C6H9BF3O/c8-7(9,10)5-3-6(5)1-2-11-4-6/h5H,1-4H2/q-1
InChIKey
XVDFCJFXVRSZFZ-UHFFFAOYSA-N
Compound name
trifluoro(5-oxaspiro[2.4]heptan-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07713 123.7
[M+Na]+ 188.05907 133.0
[M-H]- 164.06257 125.6
[M+NH4]+ 183.10367 141.4
[M+K]+ 204.03301 132.7
[M+H-H2O]+ 148.06711 119.3
[M+HCOO]- 210.06805 140.5
[M+CH3COO]- 224.08370 175.4
[M+Na-2H]- 186.04452 130.4
[M]+ 165.06930 118.9
[M]- 165.07040 118.9
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.