CID 86775709

3-ethynyl-3-fluorooxetane

Structural Information

Molecular Formula
C5H5FO
SMILES
C#CC1(COC1)F
InChI
InChI=1S/C5H5FO/c1-2-5(6)3-7-4-5/h1H,3-4H2
InChIKey
BAIFADOAFOCMFV-UHFFFAOYSA-N
Compound name
3-ethynyl-3-fluorooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

100.03244 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.039716 104.7
[M+Na]+ 123.021658 114.3
[M-H]- 99.025164 107.3
[M+NH4]+ 118.066263 120.5
[M+K]+ 138.995598 117.3
[M+H-H2O]+ 83.029700 90.9
[M+HCOO]- 145.030641 120.8
[M+CH3COO]- 159.046291 178.0
[M+Na-2H]- 121.007106 113.9
[M]+ 100.03189142 106.5
[M]- 100.03298858 106.5
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