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 156.6
[M+Na]+ 301.02456 162.7
[M-H]- 277.02806 151.5
[M+NH4]+ 296.06916 173.5
[M+K]+ 316.99850 160.9
[M+H-H2O]+ 261.03260 146.2
[M+HCOO]- 323.03354 174.2
[M+CH3COO]- 337.04919 197.5
[M+Na-2H]- 299.01001 153.0
[M]+ 278.03479 159.6
[M]- 278.03589 159.6
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.