CID 209799

20464-69-1

Structural Information

Molecular Formula
C17H20Cl2NO4P
SMILES
COC1=CC(=CC=C1)OP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2
InChI
InChI=1S/C17H20Cl2NO4P/c1-22-16-8-5-9-17(14-16)24-25(21,20(12-10-18)13-11-19)23-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChIKey
IIZPXVMHIKFFMM-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-[(3-methoxyphenoxy)-phenoxyphosphoryl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.0507 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.05798 188.1
[M+Na]+ 426.03992 194.7
[M-H]- 402.04342 194.1
[M+NH4]+ 421.08452 201.1
[M+K]+ 442.01386 190.5
[M+H-H2O]+ 386.04796 178.5
[M+HCOO]- 448.04890 207.9
[M+CH3COO]- 462.06455 222.7
[M+Na-2H]- 424.02537 189.8
[M]+ 403.05015 198.4
[M]- 403.05125 198.4
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.