CID 201102

Monsanto cp-7769

Structural Information

Molecular Formula
C15H35O9P3S
SMILES
CCOP(=O)(C(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)SCC)OCC
InChI
InChI=1S/C15H35O9P3S/c1-8-19-25(16,20-9-2)15(28-14-7,26(17,21-10-3)22-11-4)27(18,23-12-5)24-13-6/h8-14H2,1-7H3
InChIKey
RMFQENCRTJMPCX-UHFFFAOYSA-N
Compound name
1-[[bis(diethoxyphosphoryl)-ethylsulfanylmethyl]-ethoxyphosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.12146 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.12874 219.0
[M+Na]+ 507.11068 219.0
[M-H]- 483.11418 215.6
[M+NH4]+ 502.15528 227.8
[M+K]+ 523.08462 214.9
[M+H-H2O]+ 467.11872 194.2
[M+HCOO]- 529.11966 240.0
[M+CH3COO]- 543.13531 235.8
[M+Na-2H]- 505.09613 201.0
[M]+ 484.12091 222.9
[M]- 484.12201 222.9
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.