CID 3060569

78218-78-7

Structural Information

Molecular Formula
C8H19Cl3N3O2P
SMILES
C(CNP(=O)(N(CCCl)CCCl)OCCCl)N
InChI
InChI=1S/C8H19Cl3N3O2P/c9-1-6-14(7-2-10)17(15,13-5-4-12)16-8-3-11/h1-8,12H2,(H,13,15)
InChIKey
HMDKEUAXBRCIOC-UHFFFAOYSA-N
Compound name
N'-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.02805 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.03533 170.8
[M+Na]+ 348.01727 176.3
[M-H]- 324.02077 169.2
[M+NH4]+ 343.06187 186.5
[M+K]+ 363.99121 171.9
[M+H-H2O]+ 308.02531 165.3
[M+HCOO]- 370.02625 186.1
[M+CH3COO]- 384.04190 214.0
[M+Na-2H]- 346.00272 171.0
[M]+ 325.02750 176.6
[M]- 325.02860 176.6
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.