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 175.7
[M+Na]+ 365.98339 181.0
[M-H]- 341.98689 173.2
[M+NH4]+ 361.02799 190.5
[M+K]+ 381.95733 175.7
[M+H-H2O]+ 325.99143 170.9
[M+HCOO]- 387.99237 185.4
[M+CH3COO]- 402.00802 217.6
[M+Na-2H]- 363.96884 175.2
[M]+ 342.99362 180.0
[M]- 342.99472 180.0
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.