CID 168024688

3-(2,2-difluoroethoxy)prop-1-yne

Structural Information

Molecular Formula
C5H6F2O
SMILES
C#CCOCC(F)F
InChI
InChI=1S/C5H6F2O/c1-2-3-8-4-5(6)7/h1,5H,3-4H2
InChIKey
KHOHVPYOXLNELV-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.03867 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 114.4
[M+Na]+ 143.02789 124.1
[M-H]- 119.03139 111.9
[M+NH4]+ 138.07249 134.5
[M+K]+ 159.00183 123.2
[M+H-H2O]+ 103.03593 102.8
[M+HCOO]- 165.03687 130.6
[M+CH3COO]- 179.05252 180.2
[M+Na-2H]- 141.01334 119.7
[M]+ 120.03812 108.1
[M]- 120.03922 108.1
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.