CID 86019

Stauffer r-8963

Structural Information

Molecular Formula
C8H14F3O2PS2
SMILES
CCOP(=S)(OCC)SCC=C(C(F)F)F
InChI
InChI=1S/C8H14F3O2PS2/c1-3-12-14(15,13-4-2)16-6-5-7(9)8(10)11/h5,8H,3-4,6H2,1-2H3
InChIKey
KLQVWGXGRBVSHW-UHFFFAOYSA-N
Compound name
diethoxy-sulfanylidene-(3,4,4-trifluorobut-2-enylsulfanyl)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.01248 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01976 155.0
[M+Na]+ 317.00170 160.5
[M-H]- 293.00520 149.4
[M+NH4]+ 312.04630 171.1
[M+K]+ 332.97564 156.7
[M+H-H2O]+ 277.00974 144.0
[M+HCOO]- 339.01068 166.7
[M+CH3COO]- 353.02633 200.0
[M+Na-2H]- 314.98715 149.5
[M]+ 294.01193 156.9
[M]- 294.01303 156.9
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.