CID 210170

Phosphoric triamide, n,n-bis(2-chloroethyl)-n',n''-diethyl-

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]+ 276.079376 164.2
[M+Na]+ 298.061318 169.8
[M-H]- 274.064824 164.0
[M+NH4]+ 293.105923 182.2
[M+K]+ 314.035258 166.2
[M+H-H2O]+ 258.069360 157.8
[M+HCOO]- 320.070301 185.3
[M+CH3COO]- 334.085951 207.9
[M+Na-2H]- 296.046766 166.0
[M]+ 275.07155142 169.7
[M]- 275.07264858 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.