CID 135392378

3-ethynyl-3-fluorooxolane

Structural Information

Molecular Formula
C6H7FO
SMILES
C#CC1(CCOC1)F
InChI
InChI=1S/C6H7FO/c1-2-6(7)3-4-8-5-6/h1H,3-5H2
InChIKey
AFSGWPAKMVGLCS-UHFFFAOYSA-N
Compound name
3-ethynyl-3-fluorooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

114.048096 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.055372 115.8
[M+Na]+ 137.037314 126.6
[M-H]- 113.040820 117.5
[M+NH4]+ 132.081919 138.2
[M+K]+ 153.011254 124.2
[M+H-H2O]+ 97.045356 105.0
[M+HCOO]- 159.046297 132.3
[M+CH3COO]- 173.061947 175.5
[M+Na-2H]- 135.022762 122.6
[M]+ 114.04754742 108.2
[M]- 114.04864458 108.2
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

patents stripe