CID 200998

Phosphorothioic acid, o,o-dimethyl o-(morpholinosulfonylphenyl) ester

Structural Information

Molecular Formula
C12H18NO6PS2
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C12H18NO6PS2/c1-16-20(21,17-2)19-11-3-5-12(6-4-11)22(14,15)13-7-9-18-10-8-13/h3-6H,7-10H2,1-2H3
InChIKey
AGSPBJWUHVHTHG-UHFFFAOYSA-N
Compound name
dimethoxy-(4-morpholin-4-ylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0313 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03858 173.5
[M+Na]+ 390.02052 181.7
[M+NH4]+ 385.06512 178.5
[M+K]+ 405.99446 175.8
[M-H]- 366.02402 174.3
[M+Na-2H]- 388.00597 176.8
[M]+ 367.03075 175.5
[M]- 367.03185 175.5
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

No patent data available for this compound.