CID 207728

O,s-dimethyl dichloroacetylphosphoramidothioate

Structural Information

Molecular Formula
C4H8Cl2NO3PS
SMILES
COP(=O)(NC(=O)C(Cl)Cl)SC
InChI
InChI=1S/C4H8Cl2NO3PS/c1-10-11(9,12-2)7-4(8)3(5)6/h3H,1-2H3,(H,7,8,9)
InChIKey
MANCWSUTQSBPSN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[methoxy(methylsulfanyl)phosphoryl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.93396 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.94124 142.0
[M+Na]+ 273.92318 149.9
[M-H]- 249.92668 141.9
[M+NH4]+ 268.96778 161.3
[M+K]+ 289.89712 146.7
[M+H-H2O]+ 233.93122 137.4
[M+HCOO]- 295.93216 155.8
[M+CH3COO]- 309.94781 190.5
[M+Na-2H]- 271.90863 142.0
[M]+ 250.93341 148.8
[M]- 250.93451 148.8
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