CID 207873

Brn 2175446

Structural Information

Molecular Formula
C13H22NO5PS2
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1)S(=O)(=O)N(C)C)C
InChI
InChI=1S/C13H22NO5PS2/c1-6-17-20(21,18-7-2)19-12-8-9-13(11(3)10-12)22(15,16)14(4)5/h8-10H,6-7H2,1-5H3
InChIKey
AJIDKOKXUGLWBL-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxy-N,N,2-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0677 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.07498 177.4
[M+Na]+ 390.05692 183.1
[M-H]- 366.06042 180.5
[M+NH4]+ 385.10152 191.1
[M+K]+ 406.03086 180.7
[M+H-H2O]+ 350.06496 167.5
[M+HCOO]- 412.06590 195.2
[M+CH3COO]- 426.08155 217.3
[M+Na-2H]- 388.04237 177.2
[M]+ 367.06715 187.0
[M]- 367.06825 187.0
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.