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]+ 354.05934 174.0
[M+Na]+ 376.04128 179.5
[M-H]- 352.04478 177.1
[M+NH4]+ 371.08588 188.1
[M+K]+ 392.01522 177.3
[M+H-H2O]+ 336.04932 164.1
[M+HCOO]- 398.05026 192.3
[M+CH3COO]- 412.06591 213.2
[M+Na-2H]- 374.02673 174.8
[M]+ 353.05151 182.9
[M]- 353.05261 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.