CID 588272

Sulprofos sulfoxide

Structural Information

Molecular Formula
C12H19O3PS3
SMILES
CCCSP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C
InChI
InChI=1S/C12H19O3PS3/c1-4-10-18-16(17,14-5-2)15-11-6-8-12(9-7-11)19(3)13/h6-9H,4-5,10H2,1-3H3
InChIKey
CBVUFUJJOXRACG-UHFFFAOYSA-N
Compound name
ethoxy-(4-methylsulfinylphenoxy)-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

338.0234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03068 167.4
[M+Na]+ 361.01262 173.0
[M-H]- 337.01612 168.3
[M+NH4]+ 356.05722 181.6
[M+K]+ 376.98656 166.9
[M+H-H2O]+ 321.02066 157.8
[M+HCOO]- 383.02160 178.4
[M+CH3COO]- 397.03725 207.2
[M+Na-2H]- 358.99807 164.4
[M]+ 338.02285 172.5
[M]- 338.02395 172.5
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.