CID 3060570

78218-79-8

Structural Information

Molecular Formula
C8H17Cl4N2O2P
SMILES
C(CCl)NP(=O)(N(CCCl)CCCl)OCCCl
InChI
InChI=1S/C8H17Cl4N2O2P/c9-1-5-13-17(15,16-8-4-12)14(6-2-10)7-3-11/h1-8H2,(H,13,15)
InChIKey
SSCRFNLZOFXSQB-UHFFFAOYSA-N
Compound name
N-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]-2-chloroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.97818 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.98546 172.2
[M+Na]+ 366.96740 178.4
[M-H]- 342.97090 169.9
[M+NH4]+ 362.01200 187.4
[M+K]+ 382.94134 173.5
[M+H-H2O]+ 326.97544 167.7
[M+HCOO]- 388.97638 181.4
[M+CH3COO]- 402.99203 214.8
[M+Na-2H]- 364.95285 172.0
[M]+ 343.97763 178.6
[M]- 343.97873 178.6
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.