CID 21123472

Vamidothion sulfone

Structural Information

Molecular Formula
C8H18NO6PS2
SMILES
CC(C(=O)NC)S(=O)(=O)CCSP(=O)(OC)OC
InChI
InChI=1S/C8H18NO6PS2/c1-7(8(10)9-2)18(12,13)6-5-17-16(11,14-3)15-4/h7H,5-6H2,1-4H3,(H,9,10)
InChIKey
KOLMGNAVOCHIPY-UHFFFAOYSA-N
Compound name
2-(2-dimethoxyphosphorylsulfanylethylsulfonyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.0313 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03858 164.8
[M+Na]+ 342.02052 168.9
[M-H]- 318.02402 162.9
[M+NH4]+ 337.06512 179.1
[M+K]+ 357.99446 167.3
[M+H-H2O]+ 302.02856 156.0
[M+HCOO]- 364.02950 180.3
[M+CH3COO]- 378.04515 203.5
[M+Na-2H]- 340.00597 164.4
[M]+ 319.03075 172.5
[M]- 319.03185 172.5
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