CID 96688

18228-87-0

Structural Information

Molecular Formula
C8H19Cl2N2O3P
SMILES
CCOP(=O)(NCCO)N(CCCl)CCCl
InChI
InChI=1S/C8H19Cl2N2O3P/c1-2-15-16(14,11-5-8-13)12(6-3-9)7-4-10/h13H,2-8H2,1H3,(H,11,14)
InChIKey
XTQZDKCCPAUKDV-UHFFFAOYSA-N
Compound name
2-[[bis(2-chloroethyl)amino-ethoxyphosphoryl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.05103 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05831 163.5
[M+Na]+ 315.04025 169.4
[M-H]- 291.04375 162.1
[M+NH4]+ 310.08485 180.5
[M+K]+ 331.01419 166.1
[M+H-H2O]+ 275.04829 157.7
[M+HCOO]- 337.04923 182.8
[M+CH3COO]- 351.06488 204.4
[M+Na-2H]- 313.02570 165.3
[M]+ 292.05048 170.8
[M]- 292.05158 170.8
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.