CID 165657948

4-ethynyl-4-(fluoromethyl)oxane

Structural Information

Molecular Formula
C8H11FO
SMILES
C#CC1(CCOCC1)CF
InChI
InChI=1S/C8H11FO/c1-2-8(7-9)3-5-10-6-4-8/h1H,3-7H2
InChIKey
RNGVXLIRTMIZKM-UHFFFAOYSA-N
Compound name
4-ethynyl-4-(fluoromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.07939 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08667 123.6
[M+Na]+ 165.06861 132.7
[M-H]- 141.07211 125.0
[M+NH4]+ 160.11321 143.3
[M+K]+ 181.04255 130.1
[M+H-H2O]+ 125.07665 112.4
[M+HCOO]- 187.07759 137.6
[M+CH3COO]- 201.09324 181.1
[M+Na-2H]- 163.05406 130.6
[M]+ 142.07884 114.8
[M]- 142.07994 114.8
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.