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]+ 353.075296 173.7
[M+Na]+ 375.057238 178.6
[M-H]- 351.060744 178.0
[M+NH4]+ 370.101843 188.1
[M+K]+ 391.031178 177.1
[M+H-H2O]+ 335.065280 163.3
[M+HCOO]- 397.066221 192.8
[M+CH3COO]- 411.081871 219.3
[M+Na-2H]- 373.042686 174.3
[M]+ 352.06747142 181.6
[M]- 352.06856858 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.