CID 11009757

Diethyl (3,3,3-trifluoroprop-1-yn-1-yl)phosphonate

Structural Information

Molecular Formula
C7H10F3O3P
SMILES
CCOP(=O)(C#CC(F)(F)F)OCC
InChI
InChI=1S/C7H10F3O3P/c1-3-12-14(11,13-4-2)6-5-7(8,9)10/h3-4H2,1-2H3
InChIKey
KSPDHXSREUTSBM-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03197 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03925 139.0
[M+Na]+ 253.02119 148.5
[M-H]- 229.02469 134.3
[M+NH4]+ 248.06579 155.7
[M+K]+ 268.99513 147.8
[M+H-H2O]+ 213.02923 124.8
[M+HCOO]- 275.03017 157.1
[M+CH3COO]- 289.04582 195.7
[M+Na-2H]- 251.00664 142.3
[M]+ 230.03142 135.1
[M]- 230.03252 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.