CID 81063

Bayer 48792

Structural Information

Molecular Formula
C11H17O3PS2
SMILES
CCOP(=S)(CC)OC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C11H17O3PS2/c1-4-13-15(16,5-2)14-10-6-8-11(9-7-10)17(3)12/h6-9H,4-5H2,1-3H3
InChIKey
YNWMEIIUHWBTKK-UHFFFAOYSA-N
Compound name
ethoxy-ethyl-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.03568 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04296 160.4
[M+Na]+ 315.02490 170.0
[M+NH4]+ 310.06950 167.6
[M+K]+ 330.99884 161.6
[M-H]- 291.02840 160.8
[M+Na-2H]- 313.01035 163.9
[M]+ 292.03513 162.7
[M]- 292.03623 162.7
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.