CID 3090272

50966-08-0

Structural Information

Molecular Formula
C13H17Cl3NO4P
SMILES
CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1)OCC
InChI
InChI=1S/C13H17Cl3NO4P/c1-3-20-22(19,21-4-2)12(13(14,15)16)17-11(18)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3,(H,17,18)
InChIKey
MPCNYOLLUFDJBR-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

386.99606 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.00334 178.9
[M+Na]+ 409.98528 185.6
[M-H]- 385.98878 180.5
[M+NH4]+ 405.02988 192.6
[M+K]+ 425.95922 181.0
[M+H-H2O]+ 369.99332 173.2
[M+HCOO]- 431.99426 189.9
[M+CH3COO]- 446.00991 215.2
[M+Na-2H]- 407.97073 180.3
[M]+ 386.99551 186.5
[M]- 386.99661 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.