CID 7926

Pyrazothion

Structural Information

Molecular Formula
C8H15N2O3PS
SMILES
CCOP(=S)(OCC)OC1=NNC(=C1)C
InChI
InChI=1S/C8H15N2O3PS/c1-4-11-14(15,12-5-2)13-8-6-7(3)9-10-8/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
NKADQNIAHIXOIZ-UHFFFAOYSA-N
Compound name
diethoxy-[(5-methyl-1H-pyrazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

690
Patents

250.05411 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06139 153.7
[M+Na]+ 273.04333 161.6
[M-H]- 249.04683 152.5
[M+NH4]+ 268.08793 170.6
[M+K]+ 289.01727 159.8
[M+H-H2O]+ 233.05137 144.8
[M+HCOO]- 295.05231 174.8
[M+CH3COO]- 309.06796 188.6
[M+Na-2H]- 271.02878 152.9
[M]+ 250.05356 159.6
[M]- 250.05466 159.6
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

patents stripe