CID 204501

16499-75-5

Structural Information

Molecular Formula
C8H14F3O3PS
SMILES
CCOP(=O)(OCC)SCCC(=C(F)F)F
InChI
InChI=1S/C8H14F3O3PS/c1-3-13-15(12,14-4-2)16-6-5-7(9)8(10)11/h3-6H2,1-2H3
InChIKey
NGRGWVSHDRFOEW-UHFFFAOYSA-N
Compound name
4-diethoxyphosphorylsulfanyl-1,1,2-trifluorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03534 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04262 162.0
[M+Na]+ 301.02456 166.2
[M+NH4]+ 296.06916 165.2
[M+K]+ 316.99850 161.4
[M-H]- 277.02806 154.8
[M+Na-2H]- 299.01001 160.1
[M]+ 278.03479 160.3
[M]- 278.03589 160.3
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.