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 174.4
[M+Na]+ 390.02052 179.2
[M-H]- 366.02402 178.1
[M+NH4]+ 385.06512 184.6
[M+K]+ 405.99446 177.8
[M+H-H2O]+ 350.02856 164.4
[M+HCOO]- 412.02950 187.6
[M+CH3COO]- 426.04515 207.0
[M+Na-2H]- 388.00597 176.3
[M]+ 367.03075 178.4
[M]- 367.03185 178.4
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.