CID 3060568

B 513

Structural Information

Molecular Formula
C8H18Cl4N3OP
SMILES
C(CCl)NP(=O)(NCCCl)N(CCCl)CCCl
InChI
InChI=1S/C8H18Cl4N3OP/c9-1-5-13-17(16,14-6-2-10)15(7-3-11)8-4-12/h1-8H2,(H2,13,14,16)
InChIKey
JFFGBSQNFNTULM-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-(2-chloroethylamino)phosphoryl]-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.99417 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.00145 174.6
[M+Na]+ 365.98339 182.1
[M+NH4]+ 361.02799 180.2
[M+K]+ 381.95733 175.5
[M-H]- 341.98689 173.2
[M+Na-2H]- 363.96884 176.2
[M]+ 342.99362 175.8
[M]- 342.99472 175.8
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.