CID 197956

Ethion monoxon

Structural Information

Molecular Formula
C9H22O5P2S3
SMILES
CCOP(=O)(OCC)SCSP(=S)(OCC)OCC
InChI
InChI=1S/C9H22O5P2S3/c1-5-11-15(10,12-6-2)18-9-19-16(17,13-7-3)14-8-4/h5-9H2,1-4H3
InChIKey
QPNPEPLJFIUWDM-UHFFFAOYSA-N
Compound name
diethoxyphosphorylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3
Patents

368.01047 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.01775 172.6
[M+Na]+ 390.99969 176.1
[M-H]- 367.00319 168.9
[M+NH4]+ 386.04429 185.8
[M+K]+ 406.97363 172.0
[M+H-H2O]+ 351.00773 160.4
[M+HCOO]- 413.00867 189.0
[M+CH3COO]- 427.02432 212.3
[M+Na-2H]- 388.98514 170.1
[M]+ 368.00992 181.7
[M]- 368.01102 181.7
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.