CID 146026800

2374786-94-2

Structural Information

Molecular Formula
C6H9BF3O
SMILES
[B-](C12CCOCC1C2)(F)(F)F
InChI
InChI=1S/C6H9BF3O/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5H,1-4H2/q-1
InChIKey
NYRMPPZMHCPDKN-UHFFFAOYSA-N
Compound name
trifluoro(3-oxabicyclo[4.1.0]heptan-6-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 142.0
[M+Na]+ 188.05907 150.1
[M+NH4]+ 183.10367 149.9
[M+K]+ 204.03301 146.3
[M-H]- 164.06257 146.0
[M+Na-2H]- 186.04452 146.5
[M]+ 165.06930 144.9
[M]- 165.07040 144.9
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.