CID 207863

30978-93-9

Structural Information

Molecular Formula
C12H20NO5PS2
SMILES
CCOP(=S)(OCC)OC1=CC(=CC=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H20NO5PS2/c1-5-16-19(20,17-6-2)18-11-8-7-9-12(10-11)21(14,15)13(3)4/h7-10H,5-6H2,1-4H3
InChIKey
ZANWMRVFLXMKOH-UHFFFAOYSA-N
Compound name
3-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.05206 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05934 175.6
[M+Na]+ 376.04128 182.7
[M+NH4]+ 371.08588 180.7
[M+K]+ 392.01522 176.4
[M-H]- 352.04478 174.7
[M+Na-2H]- 374.02673 178.3
[M]+ 353.05151 177.0
[M]- 353.05261 177.0
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.