CID 3039765

O,o-diethyl (2-((2,4-dichlorophenyl)imino)-1-pyrrolidinyl)phosphonothioate

Structural Information

Molecular Formula
C14H19Cl2N2O2PS
SMILES
CCOP(=S)(N1CCCC1=NC2=C(C=C(C=C2)Cl)Cl)OCC
InChI
InChI=1S/C14H19Cl2N2O2PS/c1-3-19-21(22,20-4-2)18-9-5-6-14(18)17-13-8-7-11(15)10-12(13)16/h7-8,10H,3-6,9H2,1-2H3
InChIKey
ZUKDVWDQVMTXAO-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-1-diethoxyphosphinothioylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0282 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03548 182.2
[M+Na]+ 403.01742 190.3
[M-H]- 379.02092 187.6
[M+NH4]+ 398.06202 197.9
[M+K]+ 418.99136 184.6
[M+H-H2O]+ 363.02546 173.7
[M+HCOO]- 425.02640 195.6
[M+CH3COO]- 439.04205 216.5
[M+Na-2H]- 401.00287 178.4
[M]+ 380.02765 188.9
[M]- 380.02875 188.9
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.