CID 3060563

B 641

Structural Information

Molecular Formula
C8H17Cl3NO4P
SMILES
C(CCl)N(CCCl)P(=O)(OCCO)OCCCl
InChI
InChI=1S/C8H17Cl3NO4P/c9-1-4-12(5-2-10)17(14,15-7-3-11)16-8-6-13/h13H,1-8H2
InChIKey
VWFFRRORGKQUOU-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino-(2-chloroethoxy)phosphoryl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99606 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00334 165.3
[M+Na]+ 349.98528 173.4
[M+NH4]+ 345.02988 170.5
[M+K]+ 365.95922 168.5
[M-H]- 325.98878 162.1
[M+Na-2H]- 347.97073 166.4
[M]+ 326.99551 165.9
[M]- 326.99661 165.9
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.