CID 3060587

78218-98-1

Structural Information

Molecular Formula
C9H20Cl3N2O2P
SMILES
CCCNP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C9H20Cl3N2O2P/c1-2-6-13-17(15,16-9-5-12)14(7-3-10)8-4-11/h2-9H2,1H3,(H,13,15)
InChIKey
GPJGEEOZBZTRLO-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.0328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04008 169.7
[M+Na]+ 347.02202 177.8
[M+NH4]+ 342.06662 175.6
[M+K]+ 362.99596 171.6
[M-H]- 323.02552 168.1
[M+Na-2H]- 345.00747 171.5
[M]+ 324.03225 170.8
[M]- 324.03335 170.8
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.