CID 5173568

Diethyl 2,2,2-trichloro-1-(propionylamino)ethylphosphonate

Structural Information

Molecular Formula
C9H17Cl3NO4P
SMILES
CCC(=O)NC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC
InChI
InChI=1S/C9H17Cl3NO4P/c1-4-7(14)13-8(9(10,11)12)18(15,16-5-2)17-6-3/h8H,4-6H2,1-3H3,(H,13,14)
InChIKey
MBTDUGBOGUDIEO-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.99606 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00334 167.9
[M+Na]+ 361.98528 175.1
[M-H]- 337.98878 166.7
[M+NH4]+ 357.02988 183.8
[M+K]+ 377.95922 171.3
[M+H-H2O]+ 321.99332 164.1
[M+HCOO]- 383.99426 178.9
[M+CH3COO]- 398.00991 208.2
[M+Na-2H]- 359.97073 168.9
[M]+ 338.99551 176.0
[M]- 338.99661 176.0
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.