CID 17345

Formothion

Structural Information

Molecular Formula
C6H12NO4PS2
SMILES
CN(C=O)C(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
InChIKey
AIKKULXCBHRFOS-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

19
References

17762
Patents

256.99454 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.00182 149.5
[M+Na]+ 279.98376 155.1
[M-H]- 255.98726 149.6
[M+NH4]+ 275.02836 167.3
[M+K]+ 295.95770 154.0
[M+H-H2O]+ 239.99180 140.7
[M+HCOO]- 301.99274 167.9
[M+CH3COO]- 316.00839 196.4
[M+Na-2H]- 277.96921 148.0
[M]+ 256.99399 157.0
[M]- 256.99509 157.0
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.