CID 3074863

N-(2-chloroethyl)-3-(3-chloropropyl)-1,3,2-oxazaphospholidin-2-amine 2-oxide

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
C1COP(=O)(N1CCCCl)NCCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-1-5-11-6-7-13-14(11,12)10-4-3-9/h1-7H2,(H,10,12)
InChIKey
GOFQXNUKBMVGOJ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-3-(3-chloropropyl)-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.032076 152.4
[M+Na]+ 283.014018 160.0
[M-H]- 259.017524 153.0
[M+NH4]+ 278.058623 171.7
[M+K]+ 298.987958 156.8
[M+H-H2O]+ 243.022060 145.7
[M+HCOO]- 305.023001 170.0
[M+CH3COO]- 319.038651 192.8
[M+Na-2H]- 280.999466 154.3
[M]+ 260.02425142 156.3
[M]- 260.02534858 156.3
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.