CID 3060560

78218-68-5

Structural Information

Molecular Formula
C10H20Cl4NO3P
SMILES
C(CCCl)COP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C10H20Cl4NO3P/c11-3-1-2-9-17-19(16,18-10-6-14)15(7-4-12)8-5-13/h1-10H2
InChIKey
VRQNUBPRDQKPPC-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-chlorobutoxy(2-chloroethoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.9935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00078 177.5
[M+Na]+ 395.98272 183.8
[M-H]- 371.98622 175.2
[M+NH4]+ 391.02732 192.1
[M+K]+ 411.95666 179.0
[M+H-H2O]+ 355.99076 172.9
[M+HCOO]- 417.99170 185.5
[M+CH3COO]- 432.00735 217.6
[M+Na-2H]- 393.96817 176.6
[M]+ 372.99295 186.7
[M]- 372.99405 186.7
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.