CID 3040045

Brn 2548340

Structural Information

Molecular Formula
C18H22Cl2NO5P
SMILES
COC1=CC(=CC=C1)OP(=O)(N(CCCl)CCCl)OC2=CC=CC(=C2)OC
InChI
InChI=1S/C18H22Cl2NO5P/c1-23-15-5-3-7-17(13-15)25-27(22,21(11-9-19)12-10-20)26-18-8-4-6-16(14-18)24-2/h3-8,13-14H,9-12H2,1-2H3
InChIKey
POLLFTOZWWNCNC-UHFFFAOYSA-N
Compound name
N-bis(3-methoxyphenoxy)phosphoryl-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.06128 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.06856 195.3
[M+Na]+ 456.05050 207.8
[M+NH4]+ 451.09510 201.4
[M+K]+ 472.02444 200.8
[M-H]- 432.05400 197.9
[M+Na-2H]- 454.03595 202.1
[M]+ 433.06073 198.3
[M]- 433.06183 198.3
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.