CID 3060576

78218-85-6

Structural Information

Molecular Formula
C9H21Cl2N2O3P
SMILES
CCCOP(=O)(NCCO)N(CCCl)CCCl
InChI
InChI=1S/C9H21Cl2N2O3P/c1-2-9-16-17(15,12-5-8-14)13(6-3-10)7-4-11/h14H,2-9H2,1H3,(H,12,15)
InChIKey
JIABCVNHQXOISJ-UHFFFAOYSA-N
Compound name
2-[[bis(2-chloroethyl)amino-propoxyphosphoryl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06668 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07396 166.8
[M+Na]+ 329.05590 173.7
[M+NH4]+ 324.10050 172.0
[M+K]+ 345.02984 168.9
[M-H]- 305.05940 164.5
[M+Na-2H]- 327.04135 167.7
[M]+ 306.06613 167.2
[M]- 306.06723 167.2
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.