CID 200996

Phosphorothioic acid, o,o-dimethyl ester, o-ester with n,n-diethyl-p-hydroxybenzenesulfonamide

Structural Information

Molecular Formula
C12H20NO5PS2
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC
InChI
InChI=1S/C12H20NO5PS2/c1-5-13(6-2)21(14,15)12-9-7-11(8-10-12)18-19(20,16-3)17-4/h7-10H,5-6H2,1-4H3
InChIKey
RBAWMBBKNNHQNL-UHFFFAOYSA-N
Compound name
4-dimethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05206 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.059336 174.0
[M+Na]+ 376.041278 179.5
[M-H]- 352.044784 177.1
[M+NH4]+ 371.085883 188.1
[M+K]+ 392.015218 177.3
[M+H-H2O]+ 336.049320 164.1
[M+HCOO]- 398.050261 192.3
[M+CH3COO]- 412.065911 213.2
[M+Na-2H]- 374.026726 174.8
[M]+ 353.05151142 182.9
[M]- 353.05260858 182.9
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.