CID 44560

Azothion

Structural Information

Molecular Formula
C8H18NO2PS4
SMILES
CCOP(=S)(OCC)SCSC(=S)N(C)C
InChI
InChI=1S/C8H18NO2PS4/c1-5-10-12(14,11-6-2)16-7-15-8(13)9(3)4/h5-7H2,1-4H3
InChIKey
ACAQBVFQWQYTAB-UHFFFAOYSA-N
Compound name
diethoxyphosphinothioylsulfanylmethyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

318.9958 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00308 163.6
[M+Na]+ 341.98502 167.0
[M-H]- 317.98852 160.9
[M+NH4]+ 337.02962 177.5
[M+K]+ 357.95896 160.0
[M+H-H2O]+ 301.99306 153.1
[M+HCOO]- 363.99400 168.0
[M+CH3COO]- 378.00965 209.3
[M+Na-2H]- 339.97047 159.9
[M]+ 318.99525 165.1
[M]- 318.99635 165.1
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