CID 204418

2-p-dioxenethion

Structural Information

Molecular Formula
C8H15O4PS2
SMILES
CCOP(=S)(OCC)SC1=COCCO1
InChI
InChI=1S/C8H15O4PS2/c1-3-11-13(14,12-4-2)15-8-7-9-5-6-10-8/h7H,3-6H2,1-2H3
InChIKey
BRKIRWVYJPUKQJ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-dioxin-5-ylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.01492 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02220 154.4
[M+Na]+ 293.00414 159.9
[M-H]- 269.00764 157.3
[M+NH4]+ 288.04874 169.2
[M+K]+ 308.97808 159.9
[M+H-H2O]+ 253.01218 145.9
[M+HCOO]- 315.01312 169.9
[M+CH3COO]- 329.02877 192.3
[M+Na-2H]- 290.98959 155.4
[M]+ 270.01437 159.9
[M]- 270.01547 159.9
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.