CID 201064

Phosphorodithioic acid, o,o-diethyl ester, s-ester with p-mercaptobenzenesulfonamide

Structural Information

Molecular Formula
C10H16NO4PS3
SMILES
CCOP(=S)(OCC)SC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H16NO4PS3/c1-3-14-16(17,15-4-2)18-9-5-7-10(8-6-9)19(11,12)13/h5-8H,3-4H2,1-2H3,(H2,11,12,13)
InChIKey
SYNGDJNSQZDNLX-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioylsulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.9979 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.00518 169.0
[M+Na]+ 363.98712 174.7
[M-H]- 339.99062 169.1
[M+NH4]+ 359.03172 182.1
[M+K]+ 379.96106 168.1
[M+H-H2O]+ 323.99516 159.1
[M+HCOO]- 385.99610 180.6
[M+CH3COO]- 400.01175 206.4
[M+Na-2H]- 361.97257 169.0
[M]+ 340.99735 171.9
[M]- 340.99845 171.9
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.