CID 122446

29667-17-2

Structural Information

Molecular Formula
C10H16NO4PS2
SMILES
CCOP(=S)(NS(=O)(=O)C1=CC=CC=C1)OCC
InChI
InChI=1S/C10H16NO4PS2/c1-3-14-16(17,15-4-2)11-18(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,17)
InChIKey
YBWDXMUPPKFZSE-UHFFFAOYSA-N
Compound name
N-diethoxyphosphinothioylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.02585 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.03313 163.9
[M+Na]+ 332.01507 169.8
[M-H]- 308.01857 165.5
[M+NH4]+ 327.05967 178.9
[M+K]+ 347.98901 165.8
[M+H-H2O]+ 292.02311 154.5
[M+HCOO]- 354.02405 182.1
[M+CH3COO]- 368.03970 200.8
[M+Na-2H]- 330.00052 165.9
[M]+ 309.02530 169.0
[M]- 309.02640 169.0
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.