CID 3047932

Monsanto cp-11901

Structural Information

Molecular Formula
C9H19O4PS4
SMILES
CCOC(=S)SCSSCP(=O)(OCC)OCC
InChI
InChI=1S/C9H19O4PS4/c1-4-11-9(15)16-8-18-17-7-14(10,12-5-2)13-6-3/h4-8H2,1-3H3
InChIKey
KIVNOHUCJPIWIW-UHFFFAOYSA-N
Compound name
O-ethyl (diethoxyphosphorylmethyldisulfanyl)methylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.9904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.99768 170.9
[M+Na]+ 372.97962 174.2
[M-H]- 348.98312 166.9
[M+NH4]+ 368.02422 183.4
[M+K]+ 388.95356 166.8
[M+H-H2O]+ 332.98766 160.8
[M+HCOO]- 394.98860 175.0
[M+CH3COO]- 409.00425 208.1
[M+Na-2H]- 370.96507 167.5
[M]+ 349.98985 174.9
[M]- 349.99095 174.9
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.