CID 3047933

Monsanto cp-11447

Structural Information

Molecular Formula
C17H40O12P4S
SMILES
CCOP(=O)(C(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)SP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C17H40O12P4S/c1-9-22-30(18,23-10-2)17(31(19,24-11-3)25-12-4,32(20,26-13-5)27-14-6)34-33(21,28-15-7)29-16-8/h9-16H2,1-8H3
InChIKey
CISOBGVGQPIDLA-UHFFFAOYSA-N
Compound name
1-[[bis(diethoxyphosphoryl)-diethoxyphosphorylsulfanylmethyl]-ethoxyphosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.1191 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.12638 254.6
[M+Na]+ 615.10832 252.1
[M-H]- 591.11182 254.4
[M+NH4]+ 610.15292 266.9
[M+K]+ 631.08226 248.8
[M+H-H2O]+ 575.11636 221.9
[M+HCOO]- 637.11730 274.7
[M+CH3COO]- 651.13295 253.0
[M+Na-2H]- 613.09377 231.7
[M]+ 592.11855 261.7
[M]- 592.11965 261.7
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.