CID 16212160

Vamidothion sulfoxide

Structural Information

Molecular Formula
C8H18NO5PS2
SMILES
CC(C(=O)NC)S(=O)CCSP(=O)(OC)OC
InChI
InChI=1S/C8H18NO5PS2/c1-7(8(10)9-2)17(12)6-5-16-15(11,13-3)14-4/h7H,5-6H2,1-4H3,(H,9,10)
InChIKey
DOAIKHBMDHDGSV-UHFFFAOYSA-N
Compound name
2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.0364 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04368 161.6
[M+Na]+ 326.02562 165.2
[M-H]- 302.02912 159.7
[M+NH4]+ 321.07022 176.7
[M+K]+ 341.99956 163.8
[M+H-H2O]+ 286.03366 152.6
[M+HCOO]- 348.03460 177.0
[M+CH3COO]- 362.05025 202.7
[M+Na-2H]- 324.01107 158.4
[M]+ 303.03585 168.7
[M]- 303.03695 168.7
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