CID 76117

2864-61-1

Structural Information

Molecular Formula
C10H13Cl3NO3P
SMILES
CCNP(=O)(OCC)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C10H13Cl3NO3P/c1-3-14-18(15,16-4-2)17-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKey
PMWRWPFHACHCIJ-UHFFFAOYSA-N
Compound name
N-[ethoxy-(2,4,5-trichlorophenoxy)phosphoryl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.96985 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.97713 164.9
[M+Na]+ 353.95907 175.0
[M-H]- 329.96257 166.8
[M+NH4]+ 349.00367 181.4
[M+K]+ 369.93301 169.8
[M+H-H2O]+ 313.96711 159.6
[M+HCOO]- 375.96805 179.4
[M+CH3COO]- 389.98370 208.4
[M+Na-2H]- 351.94452 166.2
[M]+ 330.96930 173.1
[M]- 330.97040 173.1
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

patents stripe