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]+ 143.086666 123.6
[M+Na]+ 165.068608 132.7
[M-H]- 141.072114 125.0
[M+NH4]+ 160.113213 143.3
[M+K]+ 181.042548 130.1
[M+H-H2O]+ 125.076650 112.4
[M+HCOO]- 187.077591 137.6
[M+CH3COO]- 201.093241 181.1
[M+Na-2H]- 163.054056 130.6
[M]+ 142.07884142 114.8
[M]- 142.07993858 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.