CID 200432

2080-96-8

Structural Information

Molecular Formula
C12H21N2O4PS2
SMILES
CCOP(=S)(N(C)C)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H21N2O4PS2/c1-6-17-19(20,13(2)3)18-11-7-9-12(10-8-11)21(15,16)14(4)5/h7-10H,6H2,1-5H3
InChIKey
SUCZUNWECMAPNI-UHFFFAOYSA-N
Compound name
4-[dimethylamino(ethoxy)phosphinothioyl]oxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06802 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07530 173.7
[M+Na]+ 375.05724 178.6
[M-H]- 351.06074 178.0
[M+NH4]+ 370.10184 188.1
[M+K]+ 391.03118 177.1
[M+H-H2O]+ 335.06528 163.3
[M+HCOO]- 397.06622 192.8
[M+CH3COO]- 411.08187 219.3
[M+Na-2H]- 373.04269 174.3
[M]+ 352.06747 181.6
[M]- 352.06857 181.6
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.