CID 3289

Ethoprophos

Structural Information

Molecular Formula
C8H19O2PS2
SMILES
CCCSP(=O)(OCC)SCCC
InChI
InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
InChIKey
VJYFKVYYMZPMAB-UHFFFAOYSA-N
Compound name
1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

105
References

72672
Patents

242.05641 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06369 151.0
[M+Na]+ 265.04563 156.9
[M-H]- 241.04913 149.6
[M+NH4]+ 260.09023 169.8
[M+K]+ 281.01957 154.0
[M+H-H2O]+ 225.05367 142.8
[M+HCOO]- 287.05461 167.8
[M+CH3COO]- 301.07026 192.2
[M+Na-2H]- 263.03108 148.7
[M]+ 242.05586 158.3
[M]- 242.05696 158.3
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.