CID 3118

Disulfoton

Structural Information

Molecular Formula
C8H19O2PS3
SMILES
CCOP(=S)(OCC)SCCSCC
InChI
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKey
DOFZAZXDOSGAJZ-UHFFFAOYSA-N
Compound name
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

166
References

30893
Patents

274.02847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03575 154.2
[M+Na]+ 297.01769 159.5
[M-H]- 273.02119 152.0
[M+NH4]+ 292.06229 171.1
[M+K]+ 312.99163 154.4
[M+H-H2O]+ 257.02573 145.3
[M+HCOO]- 319.02667 165.1
[M+CH3COO]- 333.04232 197.6
[M+Na-2H]- 295.00314 150.9
[M]+ 274.02792 159.9
[M]- 274.02902 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

literature stripe

Patent stripe

patents stripe