CID 210170

21099-84-3

Structural Information

Molecular Formula
C8H20Cl2N3OP
SMILES
CCNP(=O)(NCC)N(CCCl)CCCl
InChI
InChI=1S/C8H20Cl2N3OP/c1-3-11-15(14,12-4-2)13(7-5-9)8-6-10/h3-8H2,1-2H3,(H2,11,12,14)
InChIKey
DJVYGTUNTDOFNJ-UHFFFAOYSA-N
Compound name
N-[bis(ethylamino)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0721 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07938 164.2
[M+Na]+ 298.06132 169.8
[M-H]- 274.06482 164.0
[M+NH4]+ 293.10592 182.2
[M+K]+ 314.03526 166.2
[M+H-H2O]+ 258.06936 157.8
[M+HCOO]- 320.07030 185.3
[M+CH3COO]- 334.08595 207.9
[M+Na-2H]- 296.04677 166.0
[M]+ 275.07155 169.7
[M]- 275.07265 169.7
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.