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 168.2
[M+Na]+ 329.05590 173.7
[M-H]- 305.05940 166.6
[M+NH4]+ 324.10050 184.6
[M+K]+ 345.02984 170.1
[M+H-H2O]+ 289.06394 162.1
[M+HCOO]- 351.06488 187.1
[M+CH3COO]- 365.08053 207.4
[M+Na-2H]- 327.04135 169.4
[M]+ 306.06613 175.9
[M]- 306.06723 175.9
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.