CID 76741

Bayer 29709

Structural Information

Molecular Formula
C13H21O4PS2
SMILES
CCCOP(=S)(OCCC)OC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C13H21O4PS2/c1-4-10-15-18(19,16-11-5-2)17-12-6-8-13(9-7-12)20(3)14/h6-9H,4-5,10-11H2,1-3H3
InChIKey
LMXCIGBULAWAIL-UHFFFAOYSA-N
Compound name
(4-methylsulfinylphenoxy)-dipropoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0619 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06918 171.5
[M+Na]+ 359.05112 180.1
[M+NH4]+ 354.09572 177.7
[M+K]+ 375.02506 171.8
[M-H]- 335.05462 171.2
[M+Na-2H]- 357.03657 174.2
[M]+ 336.06135 173.4
[M]- 336.06245 173.4
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.