CID 155820119

Rac-potassium trifluoro[(1r,6r)-3-oxabicyclo[4.1.0]heptan-1-yl]boranuide

Structural Information

Molecular Formula
C6H9BF3O
SMILES
[B-]([C@]12C[C@H]1CCOC2)(F)(F)F
InChI
InChI=1S/C6H9BF3O/c8-7(9,10)6-3-5(6)1-2-11-4-6/h5H,1-4H2/q-1/t5-,6+/m1/s1
InChIKey
LUSYUAVOELNSRE-RITPCOANSA-N
Compound name
trifluoro-[(1S,6S)-3-oxabicyclo[4.1.0]heptan-1-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 126.0
[M+Na]+ 188.05907 134.9
[M-H]- 164.06257 126.5
[M+NH4]+ 183.10367 142.7
[M+K]+ 204.03301 134.8
[M+H-H2O]+ 148.06711 121.0
[M+HCOO]- 210.06805 140.7
[M+CH3COO]- 224.08370 176.8
[M+Na-2H]- 186.04452 134.5
[M]+ 165.06930 121.1
[M]- 165.07040 121.1
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.