CID 6440987

Fmc 48595

Structural Information

Molecular Formula
C8H17O2PS3
SMILES
CCOP(=S)(OCC)S/C=C(/C)\SC
InChI
InChI=1S/C8H17O2PS3/c1-5-9-11(12,10-6-2)14-7-8(3)13-4/h7H,5-6H2,1-4H3/b8-7-
InChIKey
OODROCAKQYOGSX-FPLPWBNLSA-N
Compound name
diethoxy-[(Z)-2-methylsulfanylprop-1-enyl]sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.01282 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02010 153.7
[M+Na]+ 295.00204 159.0
[M-H]- 271.00554 151.6
[M+NH4]+ 290.04664 170.5
[M+K]+ 310.97598 153.8
[M+H-H2O]+ 255.01008 144.9
[M+HCOO]- 317.01102 163.6
[M+CH3COO]- 331.02667 196.7
[M+Na-2H]- 292.98749 149.6
[M]+ 272.01227 158.1
[M]- 272.01337 158.1
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.